AC1Q45YU
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: N-(4-chloro-2-methoxy-5-methylphenyl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide|2-((4-allyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide|N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-prop-2-enyl-5-(2-pyridyl)(1,2,4-tri azol-3-ylthio))acetamide|N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
| Molecular Formula | C20H20ClN5O2S |
|---|---|
| Molecular Weight | 429.10263 g/mol |
| LogP | 4.22732 |
| Topological Polar Surface Area | 81.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 429.10263 |
| Monoisotopic Mass | 429.10263 |
| Heavy Atoms | 29 |
| Complexity | 1023.21106 |
Chemical Identifiers
| CAS Number | 577962-15-3 |
|---|---|
| SMILES | CC1=CC(=C(C=C1Cl)OC)NC(=O)CSC2=NN=C(N2CC=C)C3=CC=CC=N3 |
Product Overview
AC1Q45YU (CAS 577962-15-3), with molecular formula C20H20ClN5O2S and molecular weight 429.10263 g/mol. IUPAC: N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.