N-[(5-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-N-(4-methylphenyl)methanesulfonamide
Chemical Structure Depiction of
N-[(5-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-N-(4-methylphenyl)methanesulfonamide
N-[(5-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-N-(4-methylphenyl)methanesulfonamide
Compound characteristics
| Compound ID: | D583-1810 |
| Compound Name: | N-[(5-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-N-(4-methylphenyl)methanesulfonamide |
| Molecular Weight: | 464.99 |
| Molecular Formula: | C20 H21 Cl N4 O3 S2 |
| Smiles: | Cc1ccc(cc1)N(Cc1nnc(n1C)SCC(c1ccc(cc1)[Cl])=O)S(C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.097 |
| logD: | 3.097 |
| logSw: | -3.6271 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.863 |
| InChI Key: | UGEVDQJQJKJOMU-UHFFFAOYSA-N |