N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(5-methyl-3-nitro-1H-pyrazol-1-yl)propanamide
Chemical Structure Depiction of
N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(5-methyl-3-nitro-1H-pyrazol-1-yl)propanamide
N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(5-methyl-3-nitro-1H-pyrazol-1-yl)propanamide
Compound characteristics
| Compound ID: | Y500-8786 |
| Compound Name: | N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(5-methyl-3-nitro-1H-pyrazol-1-yl)propanamide |
| Molecular Weight: | 415.51 |
| Molecular Formula: | C20 H25 N5 O3 S |
| Smiles: | Cc1cc(nn1CCC(Nc1c(C#N)c2CCC(Cc2s1)C(C)(C)C)=O)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.578 |
| logD: | 2.0652 |
| logSw: | -3.9101 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.911 |
| InChI Key: | BTARLAKDFYPBMA-CYBMUJFWSA-N |