Chemical ID: 3994779

CCOc1ccc(cc1)S(=O)(=O)N2CCc3ccccc3C2CC(=O)O
Chemical ID:
3994779
Name [?]:
2-[2-(4-ethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid
SMILES [?]:
CCOc1ccc(cc1)S(=O)(=O)N2CCc3ccccc3C2CC(=O)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H21NO5S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:2
ZAP Information [?]
Total:8.81813
Area:542.118
Solvation:-4.73482
Coulombic:-41.087
Bond Count [?]
All:28
Single:19
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:375.44
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:2.65
LogP (Chemaxon):2.81

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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