2-({[4-benzyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(2-methoxyethyl)benzamide
Chemical Structure Depiction of
2-({[4-benzyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(2-methoxyethyl)benzamide
2-({[4-benzyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(2-methoxyethyl)benzamide
Compound characteristics
| Compound ID: | V027-9756 |
| Compound Name: | 2-({[4-benzyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(2-methoxyethyl)benzamide |
| Molecular Weight: | 459.57 |
| Molecular Formula: | C25 H25 N5 O2 S |
| Salt: | not_available |
| Smiles: | COCCNC(c1ccccc1CSc1nnc(c2cccnc2)n1Cc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6338 |
| logD: | 3.6043 |
| logSw: | -3.6349 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.356 |
| InChI Key: | DRPFCESKOWZRBG-UHFFFAOYSA-N |