TL;DR: N-(3-ethoxypropyl)-5,10-dimethyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-2-carboxamide (CAS 896845-94-6) is a chemical compound with molecular formula C19H25N5O2S and molecular weight 387.17288 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(3-ethoxypropyl)-7,14-dimethyl-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene-4-carboxamide
Also Known As: N-(3-ethoxypropyl)-5,10-dimethyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-2-carboxamide, N-(3-ethoxypropyl)-5,10-dimethyl-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-2-carboxamide
| Molecular Formula | C19H25N5O2S |
| Molecular Weight | 387.17288 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 110.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 387.17288 Da |
| Heavy Atoms | 27 |
| Complexity | 538.0 |
| SMILES | CCOCCCNC(=O)C1=NN2C(=NC3=C(C2=N1)C4=C(S3)CCC(C4)C)C |
| InChIKey | UIDAHLICDZNEJR-UHFFFAOYSA-N |
The XLogP value of 3.5 indicates that N-(3-ethoxypropyl)-5,10-dimethyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-ethoxypropyl)-5,10-dimethyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-2-carboxamide. Following Lipinski's Rule of Five, N-(3-ethoxypropyl)-5,10-dimethyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-2-carboxamide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-(3-ethoxypropyl)-5,10-dimethyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-2-carboxamide is 896845-94-6.
The molecular formula of N-(3-ethoxypropyl)-5,10-dimethyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-2-carboxamide is C19H25N5O2S.
The molecular weight of N-(3-ethoxypropyl)-5,10-dimethyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-2-carboxamide is 387.17288 g/mol.
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