N-[2-(2,4-dimethoxyphenyl)ethyl]-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
Chemical Structure Depiction of
N-[2-(2,4-dimethoxyphenyl)ethyl]-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
N-[2-(2,4-dimethoxyphenyl)ethyl]-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
Compound characteristics
| Compound ID: | C849-0653 |
| Compound Name: | N-[2-(2,4-dimethoxyphenyl)ethyl]-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide |
| Molecular Weight: | 421.5 |
| Molecular Formula: | C24 H27 N3 O4 |
| Smiles: | COc1ccc(CCNC(c2ccc3C(N4CCCCCC4=Nc3c2)=O)=O)c(c1)OC |
| Stereo: | ACHIRAL |
| logP: | 2.6654 |
| logD: | 2.6654 |
| logSw: | -3.2742 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.149 |
| InChI Key: | ZBKCKSZVVSEESS-UHFFFAOYSA-N |