N-(3,4-dimethylphenyl)-4-({[5-(4-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Chemical Structure Depiction of
N-(3,4-dimethylphenyl)-4-({[5-(4-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
N-(3,4-dimethylphenyl)-4-({[5-(4-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Compound characteristics
| Compound ID: | V013-0386 |
| Compound Name: | N-(3,4-dimethylphenyl)-4-({[5-(4-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide |
| Molecular Weight: | 468.62 |
| Molecular Formula: | C28 H28 N4 O S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)c1nnc(n1CC=C)SCc1ccc(cc1)C(Nc1ccc(C)c(C)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.6076 |
| logD: | 6.6075 |
| logSw: | -5.4991 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.31 |
| InChI Key: | UCPUAFLRJSYZFR-UHFFFAOYSA-N |