TL;DR: 2-(4-amino-5-(3-pyridyl)(1,2,4-triazol-3-ylthio))-N-(9-ethylcarbazol-3-yl)acet amide (CAS 578734-04-0) is a chemical compound with molecular formula C23H21N7OS and molecular weight 443.15283 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(4-amino-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(9-ethylcarbazol-3-yl)acetamide
Also Known As: 2-(4-amino-5-(3-pyridyl)(1,2,4-triazol-3-ylthio))-N-(9-ethylcarbazol-3-yl)acet amide, 2-[(4-amino-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(9-ethylcarbazol-3-yl)acetamide, 2-((4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(9-ethyl-9H-carbazol-3-yl)acetamide, 2-{[4-AMINO-5-(3-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-N-(9-ETHYL-9H-CARBAZOL-3-YL)ACETAMIDE, 2-{[4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(9-ethyl-9H-carbazol-3-yl)acetamide
| Molecular Formula | C23H21N7OS |
| Molecular Weight | 443.15283 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 129.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 443.15283 Da |
| Heavy Atoms | 32 |
| Complexity | 654.0 |
| SMILES | CCN1C2=C(C=C(C=C2)NC(=O)CSC3=NN=C(N3N)C4=CN=CC=C4)C5=CC=CC=C51 |
| InChIKey | TXYHOSXKLSLPLA-UHFFFAOYSA-N |
The XLogP value of 3.2 indicates that 2-(4-amino-5-(3-pyridyl)(1,2,4-triazol-3-ylthio))-N-(9-ethylcarbazol-3-yl)acet amide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-amino-5-(3-pyridyl)(1,2,4-triazol-3-ylthio))-N-(9-ethylcarbazol-3-yl)acet amide. Following Lipinski's Rule of Five, 2-(4-amino-5-(3-pyridyl)(1,2,4-triazol-3-ylthio))-N-(9-ethylcarbazol-3-yl)acet amide has 2 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 2-(4-amino-5-(3-pyridyl)(1,2,4-triazol-3-ylthio))-N-(9-ethylcarbazol-3-yl)acet amide is 578734-04-0.
The molecular formula of 2-(4-amino-5-(3-pyridyl)(1,2,4-triazol-3-ylthio))-N-(9-ethylcarbazol-3-yl)acet amide is C23H21N7OS.
The molecular weight of 2-(4-amino-5-(3-pyridyl)(1,2,4-triazol-3-ylthio))-N-(9-ethylcarbazol-3-yl)acet amide is 443.15283 g/mol.
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