N-(4-methylphenyl)-N-[(4-methyl-5-{[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]methanesulfonamide
Chemical Structure Depiction of
N-(4-methylphenyl)-N-[(4-methyl-5-{[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]methanesulfonamide
N-(4-methylphenyl)-N-[(4-methyl-5-{[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]methanesulfonamide
Compound characteristics
| Compound ID: | D580-1733 |
| Compound Name: | N-(4-methylphenyl)-N-[(4-methyl-5-{[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]methanesulfonamide |
| Molecular Weight: | 470.57 |
| Molecular Formula: | C21 H22 N6 O3 S2 |
| Smiles: | Cc1ccc(cc1)N(Cc1nnc(n1C)SCc1nnc(c2ccccc2)o1)S(C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5641 |
| logD: | 2.5641 |
| logSw: | -2.7228 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 87.798 |
| InChI Key: | NXTFRJOHOSZEHR-UHFFFAOYSA-N |