N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-methyl-2-phenylquinoline-4-carboxamide
Chemical Structure Depiction of
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-methyl-2-phenylquinoline-4-carboxamide
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-methyl-2-phenylquinoline-4-carboxamide
Compound characteristics
| Compound ID: | Y203-8125 |
| Compound Name: | N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-methyl-2-phenylquinoline-4-carboxamide |
| Molecular Weight: | 437.56 |
| Molecular Formula: | C27 H23 N3 O S |
| Smiles: | Cc1c(C(Nc2c(C#N)c3CCCCCc3s2)=O)c2ccccc2nc1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 6.5318 |
| logD: | 5.0738 |
| logSw: | -5.8962 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.262 |
| InChI Key: | CULMPLVZYPQTPO-UHFFFAOYSA-N |