AC1MGWYP
3-[[2-[[4-methyl-5-[1-[(4-methylbenzoyl)amino]ethyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid
Also Known As: 3-[({[4-methyl-5-(1-{[(4-methylphenyl)carbonyl]amino}ethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoic acid|3-(2-((4-methyl-5-(1-(4-methylbenzamido)ethyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoic acid|3-[[2-[[4-methyl-5-[1-[(4-methylbenzoyl)amino]ethyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid
| Molecular Formula | C22H23N5O4S |
|---|---|
| Molecular Weight | 453.14706 g/mol |
| LogP | 3.04352 |
| Topological Polar Surface Area | 126.21 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 453.14706 |
| Monoisotopic Mass | 453.14706 |
| Heavy Atoms | 32 |
| Complexity | 1143.4779 |
Chemical Identifiers
| CAS Number | 693798-08-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)NC(C)C2=NN=C(N2C)SCC(=O)NC3=CC=CC(=C3)C(=O)O |
Product Overview
AC1MGWYP (CAS 693798-08-2), with molecular formula C22H23N5O4S and molecular weight 453.14706 g/mol. IUPAC: 3-[[2-[[4-methyl-5-[1-[(4-methylbenzoyl)amino]ethyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid.
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