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
Available: 27 mg
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mg
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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
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