N-(3,4-dimethylphenyl)-4-({[4-(4-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Chemical Structure Depiction of
N-(3,4-dimethylphenyl)-4-({[4-(4-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
N-(3,4-dimethylphenyl)-4-({[4-(4-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Compound characteristics
| Compound ID: | V025-3758 |
| Compound Name: | N-(3,4-dimethylphenyl)-4-({[4-(4-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide |
| Molecular Weight: | 505.64 |
| Molecular Formula: | C30 H27 N5 O S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)n1c(c2cccnc2)nnc1SCc1ccc(cc1)C(Nc1ccc(C)c(C)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8733 |
| logD: | 5.8691 |
| logSw: | -5.1512 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.322 |
| InChI Key: | UQTLSYDVXFHWRX-UHFFFAOYSA-N |