AC1Q43F6
methyl 4-[[2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate
Also Known As: A2913/0122808|methyl 4-[(2-{[4-allyl-5-(3-pyridyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate|methyl 4-(2-{[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate|methyl 4-(2-((4-allyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate|methyl 4-[2-(4-prop-2-enyl-5-(3-pyridyl)-1,2,4-triazol-3-ylthio)acetylamino]be nzoate|methyl 4-[({[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
| Molecular Formula | C20H19N5O3S |
|---|---|
| Molecular Weight | 409.12085 g/mol |
| LogP | 3.0435 |
| Topological Polar Surface Area | 99.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 409.12085 |
| Monoisotopic Mass | 409.12085 |
| Heavy Atoms | 29 |
| Complexity | 1002.71594 |
Chemical Identifiers
| CAS Number | 578733-75-2 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)C3=CN=CC=C3 |
Product Overview
AC1Q43F6 (CAS 578733-75-2), with molecular formula C20H19N5O3S and molecular weight 409.12085 g/mol. IUPAC: methyl 4-[[2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate.