5-methyl-N-[4-(methylsulfanyl)phenyl]-12-oxo-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carboxamide

Chemical Structure Depiction of
5-methyl-N-[4-(methylsulfanyl)phenyl]-12-oxo-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carboxamide
Available: 93 mg
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mg
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Compound characteristics

Compound ID: S413-0525
Compound Name: 5-methyl-N-[4-(methylsulfanyl)phenyl]-12-oxo-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carboxamide
Molecular Weight: 395.52
Molecular Formula: C22 H25 N3 O2 S
Smiles: CN1C2CCCCCN2C(c2ccc(cc12)C(Nc1ccc(cc1)SC)=O)=O
Stereo: RACEMIC MIXTURE
logP: 3.9698
logD: 3.9698
logSw: -4.0988
Hydrogen bond acceptors count: 5
Hydrogen bond donors count: 1
Polar surface area: 41.71
InChI Key: NDBBQRGAGJWIRW-FQEVSTJZSA-N
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