N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide
Chemical Structure Depiction of
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide
Compound characteristics
| Compound ID: | C163-0174 |
| Compound Name: | N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide |
| Molecular Weight: | 373.43 |
| Molecular Formula: | C17 H19 N5 O3 S |
| Smiles: | Cc1cc(nn1CCCC(Nc1c(C#N)c2CCCCc2s1)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.8008 |
| logD: | 0.0268 |
| logSw: | -2.5851 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.911 |
| InChI Key: | URJJPWBUILNXJW-UHFFFAOYSA-N |