N-(butan-2-yl)-2-({[5-(2-chlorophenyl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Chemical Structure Depiction of
N-(butan-2-yl)-2-({[5-(2-chlorophenyl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
N-(butan-2-yl)-2-({[5-(2-chlorophenyl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Compound characteristics
| Compound ID: | V014-0098 |
| Compound Name: | N-(butan-2-yl)-2-({[5-(2-chlorophenyl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide |
| Molecular Weight: | 459.01 |
| Molecular Formula: | C23 H27 Cl N4 O2 S |
| Salt: | not_available |
| Smiles: | CCC(C)NC(c1ccccc1CSc1nnc(c2ccccc2[Cl])n1CCOC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5526 |
| logD: | 4.5526 |
| logSw: | -4.571 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.688 |
| InChI Key: | OWVOBUVLQLBHRL-INIZCTEOSA-N |