N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-1-ethyl-4-nitro-1H-pyrazole-5-carboxamide
Chemical Structure Depiction of
N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-1-ethyl-4-nitro-1H-pyrazole-5-carboxamide
N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-1-ethyl-4-nitro-1H-pyrazole-5-carboxamide
Compound characteristics
| Compound ID: | 8010-3387 |
| Compound Name: | N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-1-ethyl-4-nitro-1H-pyrazole-5-carboxamide |
| Molecular Weight: | 373.43 |
| Molecular Formula: | C17 H19 N5 O3 S |
| Smiles: | CCn1c(C(Nc2c(C#N)c3CCCCCCc3s2)=O)c(cn1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.5532 |
| logD: | -1.5495 |
| logSw: | -4.1538 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.467 |
| InChI Key: | HYHYDYBJOIHZLS-UHFFFAOYSA-N |