N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-4-(4-nitro-1H-pyrazol-1-yl)butanamide
Chemical Structure Depiction of
N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-4-(4-nitro-1H-pyrazol-1-yl)butanamide
N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-4-(4-nitro-1H-pyrazol-1-yl)butanamide
Compound characteristics
| Compound ID: | 8018-4572 |
| Compound Name: | N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-4-(4-nitro-1H-pyrazol-1-yl)butanamide |
| Molecular Weight: | 387.46 |
| Molecular Formula: | C18 H21 N5 O3 S |
| Smiles: | C1CCCc2c(CC1)c(C#N)c(NC(CCCn1cc(cn1)[N+]([O-])=O)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 2.7102 |
| logD: | 0.9362 |
| logSw: | -3.0809 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.355 |
| InChI Key: | VIJBSTHAHKQWAS-UHFFFAOYSA-N |