4-(4-fluorophenyl)-N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)piperazine-1-carbothioamide
Chemical Structure Depiction of
4-(4-fluorophenyl)-N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)piperazine-1-carbothioamide
4-(4-fluorophenyl)-N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)piperazine-1-carbothioamide
Compound characteristics
| Compound ID: | C066-3515 |
| Compound Name: | 4-(4-fluorophenyl)-N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)piperazine-1-carbothioamide |
| Molecular Weight: | 451.57 |
| Molecular Formula: | C24 H26 F N5 O S |
| Smiles: | C1CCC2=Nc3ccc(cc3C(N2CC1)=O)NC(N1CCN(CC1)c1ccc(cc1)F)=S |
| Stereo: | ACHIRAL |
| logP: | 3.9324 |
| logD: | 3.932 |
| logSw: | -4.0138 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.878 |
| InChI Key: | QQOYANBCLJSCLF-UHFFFAOYSA-N |