N~1~-(2,3-dimethylcyclohexyl)-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-dimethylcyclohexyl)-N~2~-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)ethanediamide
N~1~-(2,3-dimethylcyclohexyl)-N~2~-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)ethanediamide
Compound characteristics
| Compound ID: | C909-0040 |
| Compound Name: | N~1~-(2,3-dimethylcyclohexyl)-N~2~-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)ethanediamide |
| Molecular Weight: | 410.52 |
| Molecular Formula: | C23 H30 N4 O3 |
| Smiles: | CC1CCCC(C1C)NC(C(Nc1ccc2c(c1)C(N1CCCCCC1=N2)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.5568 |
| logD: | 2.3162 |
| logSw: | -3.1872 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.611 |
| InChI Key: | ODDSHCGKFVUHIB-UHFFFAOYSA-N |