N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-2-phenylquinoline-4-carboxamide
Chemical Structure Depiction of
N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-2-phenylquinoline-4-carboxamide
N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-2-phenylquinoline-4-carboxamide
Compound characteristics
| Compound ID: | Y501-2902 |
| Compound Name: | N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-2-phenylquinoline-4-carboxamide |
| Molecular Weight: | 482.63 |
| Molecular Formula: | C27 H22 N4 O S2 |
| Smiles: | C1CCc2c(C#N)c(NC(NC(c3cc(c4ccccc4)nc4ccccc34)=O)=S)sc2CC1 |
| Stereo: | ACHIRAL |
| logP: | 7.0496 |
| logD: | 5.837 |
| logSw: | -6.3224 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.401 |
| InChI Key: | BCHVDQPQILZABM-UHFFFAOYSA-N |