2-(4-chlorophenyl)-N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]quinoline-4-carboxamide
Chemical Structure Depiction of
2-(4-chlorophenyl)-N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]quinoline-4-carboxamide
2-(4-chlorophenyl)-N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]quinoline-4-carboxamide
Compound characteristics
| Compound ID: | Y501-1480 |
| Compound Name: | 2-(4-chlorophenyl)-N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]quinoline-4-carboxamide |
| Molecular Weight: | 503.04 |
| Molecular Formula: | C26 H19 Cl N4 O S2 |
| Smiles: | C1CCc2c(C1)c(C#N)c(NC(NC(c1cc(c3ccc(cc3)[Cl])nc3ccccc13)=O)=S)s2 |
| Stereo: | ACHIRAL |
| logP: | 7.2535 |
| logD: | 6.0409 |
| logSw: | -6.5604 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.07 |
| InChI Key: | ZGAZAWZAWVXIIF-UHFFFAOYSA-N |