Chemical ID: 4432418

Cc1cc(c(cc1C)S(=O)(=O)N2CCc3ccccc3C2)C
Chemical ID:
4432418
Name [?]:
2-(2,4,5-trimethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline
SMILES [?]:
Cc1cc(c(cc1C)S(=O)(=O)N2CCc3ccccc3C2)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H21NO2S
All Atoms:22
Heavy Atoms:22
Chiral Atoms:1
ZAP Information [?]
Total:9.91403
Area:470.306
Solvation:-1.84362
Coulombic:-9.68807
Bond Count [?]
All:24
Single:16
Double:8
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:315.431
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.77
LogP (Chemaxon):4.33

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue