3-({[5-benzyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(2-methoxyethyl)benzamide
Chemical Structure Depiction of
3-({[5-benzyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(2-methoxyethyl)benzamide
3-({[5-benzyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(2-methoxyethyl)benzamide
Compound characteristics
| Compound ID: | V004-8594 |
| Compound Name: | 3-({[5-benzyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(2-methoxyethyl)benzamide |
| Molecular Weight: | 422.55 |
| Molecular Formula: | C23 H26 N4 O2 S |
| Salt: | not_available |
| Smiles: | COCCNC(c1cccc(CSc2nnc(Cc3ccccc3)n2CC=C)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2803 |
| logD: | 3.2803 |
| logSw: | -3.5354 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.064 |
| InChI Key: | BXUOPANPBGFAAD-UHFFFAOYSA-N |