ethyl 1-(5-ethyl-12-oxo-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carbonyl)piperidine-4-carboxylate
Chemical Structure Depiction of
ethyl 1-(5-ethyl-12-oxo-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carbonyl)piperidine-4-carboxylate
ethyl 1-(5-ethyl-12-oxo-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carbonyl)piperidine-4-carboxylate
Compound characteristics
Compound ID: | S413-0335 |
Compound Name: | ethyl 1-(5-ethyl-12-oxo-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carbonyl)piperidine-4-carboxylate |
Molecular Weight: | 427.54 |
Molecular Formula: | C24 H33 N3 O4 |
Smiles: | CCN1C2CCCCCN2C(c2ccc(cc12)C(N1CCC(CC1)C(=O)OCC)=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 2.7816 |
logD: | 2.7816 |
logSw: | -3.1748 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 55.98 |
InChI Key: | CKVAUTVPZYIPOH-NRFANRHFSA-N |