N-(4-methoxyphenyl)-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-(4-methoxyphenyl)-4-({[5-(4-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
N-(4-methoxyphenyl)-4-({[5-(4-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Compound characteristics
| Compound ID: | V027-5905 |
| Compound Name: | N-(4-methoxyphenyl)-4-({[5-(4-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide |
| Molecular Weight: | 470.59 |
| Molecular Formula: | C27 H26 N4 O2 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)c1nnc(n1CC=C)SCc1ccc(cc1)C(Nc1ccc(cc1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6025 |
| logD: | 5.6024 |
| logSw: | -5.3672 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.854 |
| InChI Key: | LYFJVVVDTFFPJT-UHFFFAOYSA-N |