N-(butan-2-yl)-2-({[4-(2-methoxyethyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Chemical Structure Depiction of
N-(butan-2-yl)-2-({[4-(2-methoxyethyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
N-(butan-2-yl)-2-({[4-(2-methoxyethyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Compound characteristics
| Compound ID: | V011-4783 |
| Compound Name: | N-(butan-2-yl)-2-({[4-(2-methoxyethyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide |
| Molecular Weight: | 425.55 |
| Molecular Formula: | C22 H27 N5 O2 S |
| Salt: | not_available |
| Smiles: | CCC(C)NC(c1ccccc1CSc1nnc(c2ccncc2)n1CCOC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0719 |
| logD: | 3.0705 |
| logSw: | -3.269 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.116 |
| InChI Key: | NTTMPSLOBUIAHU-INIZCTEOSA-N |