N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamide
Chemical Structure Depiction of
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamide
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamide
Compound characteristics
| Compound ID: | C163-0282 |
| Compound Name: | N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamide |
| Molecular Weight: | 401.49 |
| Molecular Formula: | C19 H23 N5 O3 S |
| Smiles: | Cc1c(c(C)n(CCCC(Nc2c(C#N)c3CCCCCc3s2)=O)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.5559 |
| logD: | 0.7818 |
| logSw: | -2.6232 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.53 |
| InChI Key: | AEWBNJXCDSWXHY-UHFFFAOYSA-N |