N-[3-(cyclohexylsulfanyl)propyl]-6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1-ethyl-4-oxo-1,4-dihydroquinoline-3-carboxamide
Chemical Structure Depiction of
N-[3-(cyclohexylsulfanyl)propyl]-6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1-ethyl-4-oxo-1,4-dihydroquinoline-3-carboxamide
N-[3-(cyclohexylsulfanyl)propyl]-6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1-ethyl-4-oxo-1,4-dihydroquinoline-3-carboxamide
Compound characteristics
Compound ID: | C519-2107 |
Compound Name: | N-[3-(cyclohexylsulfanyl)propyl]-6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1-ethyl-4-oxo-1,4-dihydroquinoline-3-carboxamide |
Molecular Weight: | 567.77 |
Molecular Formula: | C30 H37 N3 O4 S2 |
Smiles: | CCN1C=C(C(c2cc(ccc12)S(N1CCc2ccccc2C1)(=O)=O)=O)C(NCCCSC1CCCCC1)=O |
Stereo: | ACHIRAL |
logP: | 4.9432 |
logD: | 4.9432 |
logSw: | -4.4482 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 71.379 |
InChI Key: | DQLOFVWBIYSVQF-UHFFFAOYSA-N |