5-[(4-chloro-1H-pyrazol-1-yl)methyl]-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)furan-2-carboxamide
Chemical Structure Depiction of
5-[(4-chloro-1H-pyrazol-1-yl)methyl]-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)furan-2-carboxamide
5-[(4-chloro-1H-pyrazol-1-yl)methyl]-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)furan-2-carboxamide
Compound characteristics
| Compound ID: | Y504-8042 |
| Compound Name: | 5-[(4-chloro-1H-pyrazol-1-yl)methyl]-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)furan-2-carboxamide |
| Molecular Weight: | 400.88 |
| Molecular Formula: | C19 H17 Cl N4 O2 S |
| Smiles: | C1CCc2c(C#N)c(NC(c3ccc(Cn4cc(cn4)[Cl])o3)=O)sc2CC1 |
| Stereo: | ACHIRAL |
| logP: | 4.2323 |
| logD: | 2.254 |
| logSw: | -4.8503 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.779 |
| InChI Key: | XOMOFTOLHNFASJ-UHFFFAOYSA-N |