N-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamothioyl]-2-phenylquinoline-4-carboxamide
Chemical Structure Depiction of
N-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamothioyl]-2-phenylquinoline-4-carboxamide
N-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamothioyl]-2-phenylquinoline-4-carboxamide
Compound characteristics
| Compound ID: | 8013-7436 |
| Compound Name: | N-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamothioyl]-2-phenylquinoline-4-carboxamide |
| Molecular Weight: | 496.65 |
| Molecular Formula: | C28 H24 N4 O S2 |
| Smiles: | C1CCCc2c(CC1)c(C#N)c(NC(NC(c1cc(c3ccccc3)nc3ccccc13)=O)=S)s2 |
| Stereo: | ACHIRAL |
| logP: | 7.5456 |
| logD: | 6.3329 |
| logSw: | -6.3138 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.401 |
| InChI Key: | TUZOANALMUUNIU-UHFFFAOYSA-N |