N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)[1,4'-bipiperidine]-1'-carbothioamide
Chemical Structure Depiction of
N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)[1,4'-bipiperidine]-1'-carbothioamide
N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)[1,4'-bipiperidine]-1'-carbothioamide
Compound characteristics
| Compound ID: | C066-3554 |
| Compound Name: | N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)[1,4'-bipiperidine]-1'-carbothioamide |
| Molecular Weight: | 439.62 |
| Molecular Formula: | C24 H33 N5 O S |
| Smiles: | C1CCC2=Nc3ccc(cc3C(N2CC1)=O)NC(N1CCC(CC1)N1CCCCC1)=S |
| Stereo: | ACHIRAL |
| logP: | 3.495 |
| logD: | 0.3519 |
| logSw: | -3.8605 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.711 |
| InChI Key: | JRLJTCGZGNWSKJ-UHFFFAOYSA-N |