N-[2-(3,4-diethoxyphenyl)ethyl]-N'-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)thiourea
Chemical Structure Depiction of
N-[2-(3,4-diethoxyphenyl)ethyl]-N'-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)thiourea
N-[2-(3,4-diethoxyphenyl)ethyl]-N'-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)thiourea
Compound characteristics
| Compound ID: | C066-3490 |
| Compound Name: | N-[2-(3,4-diethoxyphenyl)ethyl]-N'-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)thiourea |
| Molecular Weight: | 480.63 |
| Molecular Formula: | C26 H32 N4 O3 S |
| Smiles: | CCOc1ccc(CCNC(Nc2ccc3c(c2)C(N2CCCCCC2=N3)=O)=S)cc1OCC |
| Stereo: | ACHIRAL |
| logP: | 3.1974 |
| logD: | 3.1973 |
| logSw: | -3.5656 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.126 |
| InChI Key: | UVYLDTICXATVLM-UHFFFAOYSA-N |