N~1~-[2-(3,4-dimethoxyphenyl)ethyl]-N~2~-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)ethanediamide
Chemical Structure Depiction of
N~1~-[2-(3,4-dimethoxyphenyl)ethyl]-N~2~-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)ethanediamide
N~1~-[2-(3,4-dimethoxyphenyl)ethyl]-N~2~-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)ethanediamide
Compound characteristics
| Compound ID: | C909-0057 |
| Compound Name: | N~1~-[2-(3,4-dimethoxyphenyl)ethyl]-N~2~-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)ethanediamide |
| Molecular Weight: | 464.52 |
| Molecular Formula: | C25 H28 N4 O5 |
| Smiles: | COc1ccc(CCNC(C(Nc2ccc3c(c2)C(N2CCCCCC2=N3)=O)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 1.5558 |
| logD: | 1.3153 |
| logSw: | -2.4391 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.598 |
| InChI Key: | AJWSMLZKBWKPDH-UHFFFAOYSA-N |