N-{[5-({[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}-N-phenylmethanesulfonamide
Chemical Structure Depiction of
N-{[5-({[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}-N-phenylmethanesulfonamide
N-{[5-({[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}-N-phenylmethanesulfonamide
Compound characteristics
| Compound ID: | D583-0717 |
| Compound Name: | N-{[5-({[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}-N-phenylmethanesulfonamide |
| Molecular Weight: | 490.99 |
| Molecular Formula: | C20 H19 Cl N6 O3 S2 |
| Smiles: | Cn1c(CN(c2ccccc2)S(C)(=O)=O)nnc1SCc1nnc(c2ccc(cc2)[Cl])o1 |
| Stereo: | ACHIRAL |
| logP: | 2.719 |
| logD: | 2.719 |
| logSw: | -3.4729 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 87.798 |
| InChI Key: | YPCKPZDGPGXIJB-UHFFFAOYSA-N |