5-ethyl-N-[3-(methylsulfanyl)phenyl]-12-oxo-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carboxamide
Chemical Structure Depiction of
5-ethyl-N-[3-(methylsulfanyl)phenyl]-12-oxo-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carboxamide
5-ethyl-N-[3-(methylsulfanyl)phenyl]-12-oxo-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carboxamide
Compound characteristics
Compound ID: | S413-0343 |
Compound Name: | 5-ethyl-N-[3-(methylsulfanyl)phenyl]-12-oxo-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carboxamide |
Molecular Weight: | 409.55 |
Molecular Formula: | C23 H27 N3 O2 S |
Smiles: | CCN1C2CCCCCN2C(c2ccc(cc12)C(Nc1cccc(c1)SC)=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 4.3329 |
logD: | 4.3329 |
logSw: | -4.2033 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 41.669 |
InChI Key: | LRXYKABHCAQJKL-NRFANRHFSA-N |