N-[(5-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-N-phenylmethanesulfonamide
Chemical Structure Depiction of
N-[(5-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-N-phenylmethanesulfonamide
N-[(5-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-N-phenylmethanesulfonamide
Compound characteristics
| Compound ID: | D583-1822 |
| Compound Name: | N-[(5-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-N-phenylmethanesulfonamide |
| Molecular Weight: | 450.96 |
| Molecular Formula: | C19 H19 Cl N4 O3 S2 |
| Smiles: | Cn1c(CN(c2ccccc2)S(C)(=O)=O)nnc1SCC(c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.5521 |
| logD: | 2.5521 |
| logSw: | -3.0922 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.863 |
| InChI Key: | LRPCVAFATSSNMS-UHFFFAOYSA-N |