2-({[5-benzyl-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(2-methoxyethyl)benzamide
Chemical Structure Depiction of
2-({[5-benzyl-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(2-methoxyethyl)benzamide
2-({[5-benzyl-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(2-methoxyethyl)benzamide
Compound characteristics
| Compound ID: | V030-1411 |
| Compound Name: | 2-({[5-benzyl-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(2-methoxyethyl)benzamide |
| Molecular Weight: | 488.61 |
| Molecular Formula: | C27 H28 N4 O3 S |
| Salt: | not_available |
| Smiles: | COCCNC(c1ccccc1CSc1nnc(Cc2ccccc2)n1c1ccc(cc1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5237 |
| logD: | 4.5237 |
| logSw: | -4.4384 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.101 |
| InChI Key: | XJNBYEZOBIXEMN-UHFFFAOYSA-N |