3-({[5-benzyl-4-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(2-methoxyethyl)benzamide
Chemical Structure Depiction of
3-({[5-benzyl-4-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(2-methoxyethyl)benzamide
3-({[5-benzyl-4-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(2-methoxyethyl)benzamide
Compound characteristics
| Compound ID: | V027-9472 |
| Compound Name: | 3-({[5-benzyl-4-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(2-methoxyethyl)benzamide |
| Molecular Weight: | 493.03 |
| Molecular Formula: | C26 H25 Cl N4 O2 S |
| Salt: | not_available |
| Smiles: | COCCNC(c1cccc(CSc2nnc(Cc3ccccc3)n2c2cccc(c2)[Cl])c1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6354 |
| logD: | 4.6354 |
| logSw: | -4.7208 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.557 |
| InChI Key: | SPMVMMTYDGUCTO-UHFFFAOYSA-N |