methyl 6-[(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carbonyl)amino]-2H-1,3-benzodioxole-5-carboxylate

Chemical Structure Depiction of
methyl 6-[(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carbonyl)amino]-2H-1,3-benzodioxole-5-carboxylate
Available: 147 mg
Amount:
mg
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Compound characteristics

Compound ID: C849-0618
Compound Name: methyl 6-[(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carbonyl)amino]-2H-1,3-benzodioxole-5-carboxylate
Molecular Weight: 435.44
Molecular Formula: C23 H21 N3 O6
Smiles: COC(c1cc2c(cc1NC(c1ccc3C(N4CCCCCC4=Nc3c1)=O)=O)OCO2)=O
Stereo: ACHIRAL
logP: 2.6926
logD: 1.018
logSw: -3.3022
Hydrogen bond acceptors count: 10
Hydrogen bond donors count: 1
Polar surface area: 87.402
InChI Key: GCSNWIMNJZOGHT-UHFFFAOYSA-N
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