AC1N40WY
6-[[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
Also Known As: KSC-11-260-12|AK-968/41170668|6-((4-(2,5-dimethylphenyl)-5-methylthiazol-2-yl)carbamoyl)-3,4-dimethylcyclohex-3-enecarboxylic acid|6-({[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]amino}carbonyl)-3,4-dimethyl-3-cyclohexene-1-carboxylic acid|6-[[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid|6-{[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl}-3,4-dimethylcyclohex-3-ene-1-carboxylic acid|6-{N-[4-(2,5-dimethylphenyl)-5-methyl(1,3-thiazol-2-yl)]carbamoyl}-3,4-dimethy lcyclohex-3-enecarboxylic acid
| Molecular Formula | C22H26N2O3S |
|---|---|
| Molecular Weight | 398.1664 g/mol |
| LogP | 5.12106 |
| Topological Polar Surface Area | 79.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 398.1664 |
| Monoisotopic Mass | 398.1664 |
| Heavy Atoms | 28 |
| Complexity | 974.1566 |
Chemical Identifiers
| CAS Number | 445259-71-2 |
|---|---|
| SMILES | CC1=C(CC(C(C1)C(=O)NC2=NC(=C(S2)C)C3=C(C=CC(=C3)C)C)C(=O)O)C |
Product Overview
AC1N40WY (CAS 445259-71-2), with molecular formula C22H26N2O3S and molecular weight 398.1664 g/mol. IUPAC: 6-[[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid.