N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)-4-phenylpiperazine-1-carbothioamide
Chemical Structure Depiction of
N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)-4-phenylpiperazine-1-carbothioamide
N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)-4-phenylpiperazine-1-carbothioamide
Compound characteristics
| Compound ID: | C066-3539 |
| Compound Name: | N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)-4-phenylpiperazine-1-carbothioamide |
| Molecular Weight: | 433.57 |
| Molecular Formula: | C24 H27 N5 O S |
| Smiles: | C1CCC2=Nc3ccc(cc3C(N2CC1)=O)NC(N1CCN(CC1)c1ccccc1)=S |
| Stereo: | ACHIRAL |
| logP: | 3.7818 |
| logD: | 3.7797 |
| logSw: | -3.9704 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.878 |
| InChI Key: | SRKSRBJWFSFUOK-UHFFFAOYSA-N |