N~1~-{2-[cyclohexyl(methyl)amino]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-[cyclohexyl(methyl)amino]ethyl}-N~2~-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)ethanediamide
N~1~-{2-[cyclohexyl(methyl)amino]ethyl}-N~2~-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)ethanediamide
Compound characteristics
| Compound ID: | C909-0225 |
| Compound Name: | N~1~-{2-[cyclohexyl(methyl)amino]ethyl}-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: | CN(CCNC(C(Nc1ccc2c(c1)C(N1CCCCCC1=N2)=O)=O)=O)C1CCCCC1 |
| Stereo: | ACHIRAL |
| logP: | 2.026 |
| logD: | 0.8886 |
| logSw: | -2.9039 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.375 |
| InChI Key: | XDOATPSXIOLWBR-UHFFFAOYSA-N |