N~1~-[2-(4-ethoxyphenyl)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-(4-ethoxyphenyl)ethyl]-N~2~-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)ethanediamide
N~1~-[2-(4-ethoxyphenyl)ethyl]-N~2~-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)ethanediamide
Compound characteristics
| Compound ID: | C909-0237 |
| Compound Name: | N~1~-[2-(4-ethoxyphenyl)ethyl]-N~2~-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)ethanediamide |
| Molecular Weight: | 448.52 |
| Molecular Formula: | C25 H28 N4 O4 |
| Smiles: | CCOc1ccc(CCNC(C(Nc2ccc3c(c2)C(N2CCCCCC2=N3)=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.4077 |
| logD: | 2.1672 |
| logSw: | -3.1058 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.461 |
| InChI Key: | JRHBMRKPBFMVQV-UHFFFAOYSA-N |