4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)butanamide
Chemical Structure Depiction of
4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)butanamide
4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)butanamide
Compound characteristics
| Compound ID: | C163-0056 |
| Compound Name: | 4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)butanamide |
| Molecular Weight: | 421.9 |
| Molecular Formula: | C18 H20 Cl N5 O3 S |
| Smiles: | Cc1c(c(nn1CCCC(Nc1c(C#N)c2CCCCCc2s1)=O)[N+]([O-])=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.0141 |
| logD: | 1.2401 |
| logSw: | -4.2123 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.488 |
| InChI Key: | XKUFBUSRHJESEA-UHFFFAOYSA-N |