4-(5-chloro-2-methylphenyl)-N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)piperazine-1-carbothioamide
Chemical Structure Depiction of
4-(5-chloro-2-methylphenyl)-N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)piperazine-1-carbothioamide
4-(5-chloro-2-methylphenyl)-N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)piperazine-1-carbothioamide
Compound characteristics
| Compound ID: | C066-3523 |
| Compound Name: | 4-(5-chloro-2-methylphenyl)-N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)piperazine-1-carbothioamide |
| Molecular Weight: | 482.05 |
| Molecular Formula: | C25 H28 Cl N5 O S |
| Smiles: | Cc1ccc(cc1N1CCN(CC1)C(Nc1ccc2c(c1)C(N1CCCCCC1=N2)=O)=S)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.0644 |
| logD: | 5.0642 |
| logSw: | -4.8885 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.577 |
| InChI Key: | AUCSDHFIPBEYAD-UHFFFAOYSA-N |