N-(2-methoxyethyl)-2-({[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Chemical Structure Depiction of
N-(2-methoxyethyl)-2-({[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
N-(2-methoxyethyl)-2-({[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Compound characteristics
| Compound ID: | V027-5075 |
| Compound Name: | N-(2-methoxyethyl)-2-({[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide |
| Molecular Weight: | 409.51 |
| Molecular Formula: | C21 H23 N5 O2 S |
| Salt: | not_available |
| Smiles: | COCCNC(c1ccccc1CSc1nnc(c2cccnc2)n1CC=C)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6815 |
| logD: | 2.669 |
| logSw: | -3.024 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.606 |
| InChI Key: | KJKQIYPYWRQGFD-UHFFFAOYSA-N |