Chemical ID: 4381323

COc1ccc(cc1)S(=O)(=O)N2Cc3ccccc3CC2C(=O)N4CCCCC4
Chemical ID:
4381323
Name [?]:
[2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-(1-piperidyl)methanone
SMILES [?]:
COc1ccc(cc1)S(=O)(=O)N2Cc3ccccc3CC2C(=O)N4CCCCC4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H26N2O4S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:2
ZAP Information [?]
Total:9.03742
Area:568.022
Solvation:-5.16313
Coulombic:-31.4942
Bond Count [?]
All:32
Single:23
Double:9
Rotors:5
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:414.519
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:2.86
LogP (Chemaxon):2.77

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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