N-{1-[5-(benzylsulfanyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]ethyl}-4-methylbenzamide
Chemical Structure Depiction of
N-{1-[5-(benzylsulfanyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]ethyl}-4-methylbenzamide
N-{1-[5-(benzylsulfanyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]ethyl}-4-methylbenzamide
Compound characteristics
| Compound ID: | V001-3721 |
| Compound Name: | N-{1-[5-(benzylsulfanyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]ethyl}-4-methylbenzamide |
| Molecular Weight: | 442.58 |
| Molecular Formula: | C26 H26 N4 O S |
| Salt: | not_available |
| Smiles: | CC(c1nnc(n1c1ccc(C)cc1)SCc1ccccc1)NC(c1ccc(C)cc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1104 |
| logD: | 5.1104 |
| logSw: | -4.9584 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.561 |
| InChI Key: | QVNYPMQFDDIQFZ-FQEVSTJZSA-N |