Chemical ID: 4738260

COc1ccc(cc1OC)CC2c3cc(c(cc3CCN2S(=O)(=O)c4cccc(c4)C(F)(F)F)OC)OC
Chemical ID:
4738260
Name [?]:
1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-[3-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline
SMILES [?]:
COc1ccc(cc1OC)CC2c3cc(c(cc3CCN2S(=O)(=O)c4cccc(c4)C(F)(F)F)OC)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C27H28F3NO6S
All Atoms:38
Heavy Atoms:38
Chiral Atoms:2
ZAP Information [?]
Total:6.77048
Area:661.723
Solvation:-9.77259
Coulombic:-54.2827
Bond Count [?]
All:41
Single:30
Double:11
Rotors:9
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:551.576
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:4.69
LogP (Chemaxon):4.9

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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