3-({[5-(4-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Chemical Structure Depiction of
3-({[5-(4-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
3-({[5-(4-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Compound characteristics
| Compound ID: | V031-0071 |
| Compound Name: | 3-({[5-(4-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide |
| Molecular Weight: | 364.47 |
| Molecular Formula: | C20 H20 N4 O S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)c1nnc(n1CC=C)SCc1cccc(c1)C(N)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7213 |
| logD: | 3.7213 |
| logSw: | -3.9889 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.278 |
| InChI Key: | PEOLUPRBGXZYRA-UHFFFAOYSA-N |