ethyl 4-[(5-ethyl-12-oxo-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carbonyl)amino]piperidine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-[(5-ethyl-12-oxo-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carbonyl)amino]piperidine-1-carboxylate
ethyl 4-[(5-ethyl-12-oxo-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carbonyl)amino]piperidine-1-carboxylate
Compound characteristics
| Compound ID: | S413-0300 |
| Compound Name: | ethyl 4-[(5-ethyl-12-oxo-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carbonyl)amino]piperidine-1-carboxylate |
| Molecular Weight: | 442.56 |
| Molecular Formula: | C24 H34 N4 O4 |
| Smiles: | CCN1C2CCCCCN2C(c2ccc(cc12)C(NC1CCN(CC1)C(=O)OCC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.924 |
| logD: | 2.924 |
| logSw: | -3.4851 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.497 |
| InChI Key: | BPRUSXQYNMMJKZ-NRFANRHFSA-N |