N-(butan-2-yl)-3-({[5-(4-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Chemical Structure Depiction of
N-(butan-2-yl)-3-({[5-(4-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
N-(butan-2-yl)-3-({[5-(4-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Compound characteristics
| Compound ID: | V029-8001 |
| Compound Name: | N-(butan-2-yl)-3-({[5-(4-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide |
| Molecular Weight: | 420.58 |
| Molecular Formula: | C24 H28 N4 O S |
| Salt: | not_available |
| Smiles: | CCC(C)NC(c1cccc(CSc2nnc(c3ccc(C)cc3)n2CC=C)c1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8577 |
| logD: | 4.8577 |
| logSw: | -4.5572 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.345 |
| InChI Key: | QEXGATZQXBWRNW-SFHVURJKSA-N |