TL;DR: (Z)-N-(3-(2-methoxyethyl)-6-nitrobenzo[d]thiazol-2(3H)-ylidene)-2-phenoxyacetamide (CAS 864976-81-8) is a chemical compound with molecular formula C18H17N3O5S and molecular weight 387.0889 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[3-(2-methoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-2-phenoxyacetamide
Also Known As: (Z)-N-(3-(2-methoxyethyl)-6-nitrobenzo[d]thiazol-2(3H)-ylidene)-2-phenoxyacetamide, F1359-1051, N-[3-(2-methoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-2-phenoxyacetamide, N-[(2Z)-3-(2-methoxyethyl)-6-nitro-2,3-dihydro-1,3-benzothiazol-2-ylidene]-2-phenoxyacetamide
| Molecular Formula | C18H17N3O5S |
| Molecular Weight | 387.0889 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 122.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 387.0889 Da |
| Heavy Atoms | 27 |
| Complexity | 562.0 |
| SMILES | COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)COC3=CC=CC=C3 |
| InChIKey | DHVHOEJAAMKTBY-UHFFFAOYSA-N |
The XLogP value of 3.3 indicates that (Z)-N-(3-(2-methoxyethyl)-6-nitrobenzo[d]thiazol-2(3H)-ylidene)-2-phenoxyacetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-N-(3-(2-methoxyethyl)-6-nitrobenzo[d]thiazol-2(3H)-ylidene)-2-phenoxyacetamide. Following Lipinski's Rule of Five, (Z)-N-(3-(2-methoxyethyl)-6-nitrobenzo[d]thiazol-2(3H)-ylidene)-2-phenoxyacetamide has 0 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 (Z)-N-(3-(2-methoxyethyl)-6-nitrobenzo[d]thiazol-2(3H)-ylidene)-2-phenoxyacetamide is 864976-81-8.
The molecular formula of (Z)-N-(3-(2-methoxyethyl)-6-nitrobenzo[d]thiazol-2(3H)-ylidene)-2-phenoxyacetamide is C18H17N3O5S.
The molecular weight of (Z)-N-(3-(2-methoxyethyl)-6-nitrobenzo[d]thiazol-2(3H)-ylidene)-2-phenoxyacetamide is 387.0889 g/mol.
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