N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)-4-(pyridin-2-yl)piperazine-1-carbothioamide
Chemical Structure Depiction of
N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)-4-(pyridin-2-yl)piperazine-1-carbothioamide
N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)-4-(pyridin-2-yl)piperazine-1-carbothioamide
Compound characteristics
| Compound ID: | C066-3548 |
| Compound Name: | N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)-4-(pyridin-2-yl)piperazine-1-carbothioamide |
| Molecular Weight: | 434.56 |
| Molecular Formula: | C23 H26 N6 O S |
| Smiles: | C1CCC2=Nc3ccc(cc3C(N2CC1)=O)NC(N1CCN(CC1)c1ccccn1)=S |
| Stereo: | ACHIRAL |
| logP: | 3.4494 |
| logD: | 3.4406 |
| logSw: | -3.869 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.39 |
| InChI Key: | NVPKZJPSSDGRSE-UHFFFAOYSA-N |