N~1~-[2-(2-methylpiperidin-1-yl)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-(2-methylpiperidin-1-yl)ethyl]-N~2~-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)ethanediamide
N~1~-[2-(2-methylpiperidin-1-yl)ethyl]-N~2~-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)ethanediamide
Compound characteristics
| Compound ID: | C909-0218 |
| Compound Name: | N~1~-[2-(2-methylpiperidin-1-yl)ethyl]-N~2~-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)ethanediamide |
| Molecular Weight: | 425.53 |
| Molecular Formula: | C23 H31 N5 O3 |
| Smiles: | CC1CCCCN1CCNC(C(Nc1ccc2c(c1)C(N1CCCCCC1=N2)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.3422 |
| logD: | -0.1026 |
| logSw: | -2.3807 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.771 |
| InChI Key: | XBMUSEQNPVPDQN-INIZCTEOSA-N |