3,5-dimethyl-N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)piperidine-1-carbothioamide
Chemical Structure Depiction of
3,5-dimethyl-N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)piperidine-1-carbothioamide
3,5-dimethyl-N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)piperidine-1-carbothioamide
Compound characteristics
| Compound ID: | C066-3514 |
| Compound Name: | 3,5-dimethyl-N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)piperidine-1-carbothioamide |
| Molecular Weight: | 384.54 |
| Molecular Formula: | C21 H28 N4 O S |
| Smiles: | CC1CC(C)CN(C1)C(Nc1ccc2c(c1)C(N1CCCCCC1=N2)=O)=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.9528 |
| logD: | 3.9528 |
| logSw: | -3.9918 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.485 |
| InChI Key: | CBUIAPJURMBJNZ-UHFFFAOYSA-N |