N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-(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-(4-nitro-1H-pyrazol-1-yl)butanamide
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-(4-nitro-1H-pyrazol-1-yl)butanamide
Compound characteristics
| Compound ID: | 8015-6912 |
| Compound Name: | N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-(4-nitro-1H-pyrazol-1-yl)butanamide |
| Molecular Weight: | 373.43 |
| Molecular Formula: | C17 H19 N5 O3 S |
| Smiles: | C1CCc2c(C#N)c(NC(CCCn3cc(cn3)[N+]([O-])=O)=O)sc2CC1 |
| Stereo: | ACHIRAL |
| logP: | 2.2143 |
| logD: | 0.4403 |
| logSw: | -2.658 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.355 |
| InChI Key: | ISWXAAXKFJXNQA-UHFFFAOYSA-N |