N~1~-butyl-N~2~-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)ethanediamide
Chemical Structure Depiction of
N~1~-butyl-N~2~-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)ethanediamide
N~1~-butyl-N~2~-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)ethanediamide
Compound characteristics
| Compound ID: | C909-0050 |
| Compound Name: | N~1~-butyl-N~2~-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)ethanediamide |
| Molecular Weight: | 356.42 |
| Molecular Formula: | C19 H24 N4 O3 |
| Smiles: | CCCCNC(C(Nc1ccc2c(c1)C(N1CCCCCC1=N2)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9177 |
| logD: | 1.6683 |
| logSw: | -2.9186 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.609 |
| InChI Key: | YJIYVTPRLVAFQZ-UHFFFAOYSA-N |