N-[2-(morpholin-4-yl)ethyl]-N'-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)thiourea
Chemical Structure Depiction of
N-[2-(morpholin-4-yl)ethyl]-N'-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)thiourea
N-[2-(morpholin-4-yl)ethyl]-N'-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)thiourea
Compound characteristics
| Compound ID: | C066-3487 |
| Compound Name: | N-[2-(morpholin-4-yl)ethyl]-N'-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)thiourea |
| Molecular Weight: | 401.53 |
| Molecular Formula: | C20 H27 N5 O2 S |
| Smiles: | C1CCC2=Nc3ccc(cc3C(N2CC1)=O)NC(NCCN1CCOCC1)=S |
| Stereo: | ACHIRAL |
| logP: | 1.3279 |
| logD: | 0.4659 |
| logSw: | -2.4084 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.597 |
| InChI Key: | SRRYEOLHAHCNKE-UHFFFAOYSA-N |