N-(2-methoxyethyl)-2-({[4-(2-methoxyethyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Chemical Structure Depiction of
N-(2-methoxyethyl)-2-({[4-(2-methoxyethyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
N-(2-methoxyethyl)-2-({[4-(2-methoxyethyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Compound characteristics
| Compound ID: | V029-7998 |
| Compound Name: | N-(2-methoxyethyl)-2-({[4-(2-methoxyethyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide |
| Molecular Weight: | 427.52 |
| Molecular Formula: | C21 H25 N5 O3 S |
| Salt: | not_available |
| Smiles: | COCCNC(c1ccccc1CSc1nnc(c2ccncc2)n1CCOC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2745 |
| logD: | 2.2731 |
| logSw: | -2.6552 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.859 |
| InChI Key: | FNXJCMHUIITOGT-UHFFFAOYSA-N |