N-(3-carbamoyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-1-methyl-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
N-(3-carbamoyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-1-methyl-1H-pyrazole-3-carboxamide
N-(3-carbamoyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-1-methyl-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | Y500-1480 |
| Compound Name: | N-(3-carbamoyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-1-methyl-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 332.42 |
| Molecular Formula: | C16 H20 N4 O2 S |
| Smiles: | Cn1ccc(C(Nc2c(C(N)=O)c3CCCCCCc3s2)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 1.3169 |
| logD: | 0.4926 |
| logSw: | -2.1868 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 72.127 |
| InChI Key: | FXDTVGBKCNNHBU-UHFFFAOYSA-N |