4-({[5-(2-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(4-methoxyphenyl)benzamide
Chemical Structure Depiction of
4-({[5-(2-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(4-methoxyphenyl)benzamide
4-({[5-(2-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(4-methoxyphenyl)benzamide
Compound characteristics
| Compound ID: | V012-8100 |
| Compound Name: | 4-({[5-(2-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(4-methoxyphenyl)benzamide |
| Molecular Weight: | 491.01 |
| Molecular Formula: | C26 H23 Cl N4 O2 S |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1)NC(c1ccc(CSc2nnc(c3ccccc3[Cl])n2CC=C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4108 |
| logD: | 5.4106 |
| logSw: | -5.7358 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.854 |
| InChI Key: | JJHMSXZAOUNBOL-UHFFFAOYSA-N |