3-({[5-benzyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(butan-2-yl)benzamide
Chemical Structure Depiction of
3-({[5-benzyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(butan-2-yl)benzamide
3-({[5-benzyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(butan-2-yl)benzamide
Compound characteristics
| Compound ID: | V014-1559 |
| Compound Name: | 3-({[5-benzyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(butan-2-yl)benzamide |
| Molecular Weight: | 420.58 |
| Molecular Formula: | C24 H28 N4 O S |
| Salt: | not_available |
| Smiles: | CCC(C)NC(c1cccc(CSc2nnc(Cc3ccccc3)n2CC=C)c1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0672 |
| logD: | 4.0672 |
| logSw: | -4.0501 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.322 |
| InChI Key: | UCQOQMXQNXNCQD-SFHVURJKSA-N |