N-[(4-methyl-5-{[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-N-phenylmethanesulfonamide
Chemical Structure Depiction of
N-[(4-methyl-5-{[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-N-phenylmethanesulfonamide
N-[(4-methyl-5-{[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-N-phenylmethanesulfonamide
Compound characteristics
| Compound ID: | D583-0676 |
| Compound Name: | N-[(4-methyl-5-{[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-N-phenylmethanesulfonamide |
| Molecular Weight: | 456.54 |
| Molecular Formula: | C20 H20 N6 O3 S2 |
| Smiles: | Cn1c(CN(c2ccccc2)S(C)(=O)=O)nnc1SCc1nnc(c2ccccc2)o1 |
| Stereo: | ACHIRAL |
| logP: | 2.0192 |
| logD: | 2.0192 |
| logSw: | -2.4019 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 87.798 |
| InChI Key: | CALGSVJINSWISD-UHFFFAOYSA-N |