5-[(4-bromo-1H-pyrazol-1-yl)methyl]-N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)furan-2-carboxamide
Chemical Structure Depiction of
5-[(4-bromo-1H-pyrazol-1-yl)methyl]-N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)furan-2-carboxamide
5-[(4-bromo-1H-pyrazol-1-yl)methyl]-N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)furan-2-carboxamide
Compound characteristics
| Compound ID: | 6228-1374 |
| Compound Name: | 5-[(4-bromo-1H-pyrazol-1-yl)methyl]-N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)furan-2-carboxamide |
| Molecular Weight: | 459.36 |
| Molecular Formula: | C20 H19 Br N4 O2 S |
| Smiles: | C1CCCc2c(CC1)c(C#N)c(NC(c1ccc(Cn3cc(cn3)[Br])o1)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 4.906 |
| logD: | 2.9277 |
| logSw: | -4.5875 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.779 |
| InChI Key: | OLEOJAKMNHZZPL-UHFFFAOYSA-N |