4-({[4-benzyl-5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(4-methoxyphenyl)benzamide
Chemical Structure Depiction of
4-({[4-benzyl-5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(4-methoxyphenyl)benzamide
4-({[4-benzyl-5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(4-methoxyphenyl)benzamide
Compound characteristics
| Compound ID: | V027-2669 |
| Compound Name: | 4-({[4-benzyl-5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(4-methoxyphenyl)benzamide |
| Molecular Weight: | 541.07 |
| Molecular Formula: | C30 H25 Cl N4 O2 S |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1)NC(c1ccc(CSc2nnc(c3ccccc3[Cl])n2Cc2ccccc2)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.3631 |
| logD: | 6.3629 |
| logSw: | -5.9438 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.604 |
| InChI Key: | GQMDAPIRERFPNT-UHFFFAOYSA-N |