N-(butan-2-yl)-3-({[4-ethyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Chemical Structure Depiction of
N-(butan-2-yl)-3-({[4-ethyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
N-(butan-2-yl)-3-({[4-ethyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Compound characteristics
| Compound ID: | V030-6959 |
| Compound Name: | N-(butan-2-yl)-3-({[4-ethyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide |
| Molecular Weight: | 400.56 |
| Molecular Formula: | C20 H24 N4 O S2 |
| Salt: | not_available |
| Smiles: | CCC(C)NC(c1cccc(CSc2nnc(c3cccs3)n2CC)c1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.943 |
| logD: | 3.9421 |
| logSw: | -3.9053 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.11 |
| InChI Key: | NCVMXOWLKPAPFY-AWEZNQCLSA-N |