N-{2-[(adamantan-1-yl)oxy]ethyl}-N'-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)thiourea
Chemical Structure Depiction of
N-{2-[(adamantan-1-yl)oxy]ethyl}-N'-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)thiourea
N-{2-[(adamantan-1-yl)oxy]ethyl}-N'-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)thiourea
Compound characteristics
| Compound ID: | C066-3408 |
| Compound Name: | N-{2-[(adamantan-1-yl)oxy]ethyl}-N'-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)thiourea |
| Molecular Weight: | 466.65 |
| Molecular Formula: | C26 H34 N4 O2 S |
| Smiles: | C1CCC2=Nc3ccc(cc3C(N2CC1)=O)NC(NCCOC12CC3CC(CC(C3)C2)C1)=S |
| Stereo: | ACHIRAL |
| logP: | 4.6795 |
| logD: | 4.6794 |
| logSw: | -4.4371 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 52.967 |
| InChI Key: | PKGIXVPOQWRUCF-UHFFFAOYSA-N |