N-(3,4-dimethylphenyl)-4-({[4-(2-methoxyphenyl)-5-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Chemical Structure Depiction of
N-(3,4-dimethylphenyl)-4-({[4-(2-methoxyphenyl)-5-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
N-(3,4-dimethylphenyl)-4-({[4-(2-methoxyphenyl)-5-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Compound characteristics
| Compound ID: | V027-0612 |
| Compound Name: | N-(3,4-dimethylphenyl)-4-({[4-(2-methoxyphenyl)-5-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide |
| Molecular Weight: | 458.58 |
| Molecular Formula: | C26 H26 N4 O2 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1C)NC(c1ccc(CSc2nnc(C)n2c2ccccc2OC)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5584 |
| logD: | 4.5581 |
| logSw: | -4.3163 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.182 |
| InChI Key: | YHVUCYALIYHRPQ-UHFFFAOYSA-N |