N-(2,2-diethoxyethyl)-N'-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)thiourea
Chemical Structure Depiction of
N-(2,2-diethoxyethyl)-N'-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)thiourea
N-(2,2-diethoxyethyl)-N'-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)thiourea
Compound characteristics
| Compound ID: | C066-3559 |
| Compound Name: | N-(2,2-diethoxyethyl)-N'-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)thiourea |
| Molecular Weight: | 404.53 |
| Molecular Formula: | C20 H28 N4 O3 S |
| Smiles: | CCOC(CNC(Nc1ccc2c(c1)C(N1CCCCCC1=N2)=O)=S)OCC |
| Stereo: | ACHIRAL |
| logP: | 2.2347 |
| logD: | 2.2347 |
| logSw: | -3.1197 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.79 |
| InChI Key: | GLYROEHCYJCSKU-UHFFFAOYSA-N |