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
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
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 |