2-(4-chlorophenyl)-N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]quinoline-4-carboxamide
Chemical Structure Depiction of
2-(4-chlorophenyl)-N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]quinoline-4-carboxamide
2-(4-chlorophenyl)-N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]quinoline-4-carboxamide
Compound characteristics
| Compound ID: | Y501-1481 |
| Compound Name: | 2-(4-chlorophenyl)-N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]quinoline-4-carboxamide |
| Molecular Weight: | 517.07 |
| Molecular Formula: | C27 H21 Cl N4 O S2 |
| Smiles: | C1CCc2c(C#N)c(NC(NC(c3cc(c4ccc(cc4)[Cl])nc4ccccc34)=O)=S)sc2CC1 |
| Stereo: | ACHIRAL |
| logP: | 7.7494 |
| logD: | 6.5368 |
| logSw: | -6.6801 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.401 |
| InChI Key: | KOUKOJOTDBNNPZ-UHFFFAOYSA-N |