N~1~-[3-(3-methylpiperidin-1-yl)propyl]-N~2~-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)ethanediamide
Chemical Structure Depiction of
N~1~-[3-(3-methylpiperidin-1-yl)propyl]-N~2~-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)ethanediamide
N~1~-[3-(3-methylpiperidin-1-yl)propyl]-N~2~-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)ethanediamide
Compound characteristics
| Compound ID: | C909-0220 |
| Compound Name: | N~1~-[3-(3-methylpiperidin-1-yl)propyl]-N~2~-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)ethanediamide |
| Molecular Weight: | 439.56 |
| Molecular Formula: | C24 H33 N5 O3 |
| Smiles: | CC1CCCN(CCCNC(C(Nc2ccc3c(c2)C(N2CCCCCC2=N3)=O)=O)=O)C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.6948 |
| logD: | -0.8768 |
| logSw: | -2.5868 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.253 |
| InChI Key: | KSQOEIMVONMOEL-KRWDZBQOSA-N |