N-[(4-methyl-5-{[2-oxo-2-(1,2,5-trimethyl-1H-pyrrol-3-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-N-(4-methylphenyl)methanesulfonamide
Chemical Structure Depiction of
N-[(4-methyl-5-{[2-oxo-2-(1,2,5-trimethyl-1H-pyrrol-3-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-N-(4-methylphenyl)methanesulfonamide
N-[(4-methyl-5-{[2-oxo-2-(1,2,5-trimethyl-1H-pyrrol-3-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-N-(4-methylphenyl)methanesulfonamide
Compound characteristics
| Compound ID: | D583-1389 |
| Compound Name: | N-[(4-methyl-5-{[2-oxo-2-(1,2,5-trimethyl-1H-pyrrol-3-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-N-(4-methylphenyl)methanesulfonamide |
| Molecular Weight: | 461.6 |
| Molecular Formula: | C21 H27 N5 O3 S2 |
| Smiles: | Cc1ccc(cc1)N(Cc1nnc(n1C)SCC(c1cc(C)n(C)c1C)=O)S(C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9951 |
| logD: | 1.9951 |
| logSw: | -2.8679 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 73.866 |
| InChI Key: | UCRXPQXETYHIOU-UHFFFAOYSA-N |