AC1MGVZ1
propan-2-yl 3-[[2-[[4-ethyl-5-[[(3-methylbenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
Also Known As: propan-2-yl 3-[({[4-ethyl-5-({[(3-methylphenyl)carbonyl]amino}methyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate|isopropyl 3-(2-((4-ethyl-5-((3-methylbenzamido)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate|ISOPROPYL 3-{2-[(4-ETHYL-5-{[(3-METHYLPHENYL)FORMAMIDO]METHYL}-1,2,4-TRIAZOL-3-YL)SULFANYL]ACETAMIDO}BENZOATE|propan-2-yl 3-[[2-[[4-ethyl-5-[[(3-methylbenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
| Molecular Formula | C25H29N5O4S |
|---|---|
| Molecular Weight | 495.19403 g/mol |
| LogP | 3.83242 |
| Topological Polar Surface Area | 115.21 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 495.19403 |
| Monoisotopic Mass | 495.19403 |
| Heavy Atoms | 35 |
| Complexity | 1208.0728 |
Chemical Identifiers
| CAS Number | 693265-04-2 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)C(=O)OC(C)C)CNC(=O)C3=CC=CC(=C3)C |
Product Overview
AC1MGVZ1 (CAS 693265-04-2), with molecular formula C25H29N5O4S and molecular weight 495.19403 g/mol. IUPAC: propan-2-yl 3-[[2-[[4-ethyl-5-[[(3-methylbenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate.
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