N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1-ethyl-4-oxo-1,4-dihydroquinoline-3-carboxamide

Chemical Structure Depiction of
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1-ethyl-4-oxo-1,4-dihydroquinoline-3-carboxamide
Available: 352 mg
Amount:
mg
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Compound characteristics

Compound ID: C519-2108
Compound Name: N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1-ethyl-4-oxo-1,4-dihydroquinoline-3-carboxamide
Molecular Weight: 573.67
Molecular Formula: C31 H31 N3 O6 S
Smiles: CCN1C=C(C(c2cc(ccc12)S(N1CCc2ccccc2C1)(=O)=O)=O)C(NC(C)c1ccc2c(c1)OCCO2)=O
Stereo: RACEMIC MIXTURE
logP: 3.7334
logD: 3.7334
logSw: -3.954
Hydrogen bond acceptors count: 11
Hydrogen bond donors count: 1
Polar surface area: 86.331
InChI Key: VSKNBDCVJFPCII-FQEVSTJZSA-N
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