Chemical ID: 6776670

CCOc1ccccc1N(C)S(=O)(=O)c2ccc3c(c2)c(=O)c(c[nH]3)C(=O)N4CCc5ccccc5C4
Chemical ID:
6776670
Name [?]:
3-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-N-(2-ethoxyphenyl)-N-methyl-4-oxo-1H-quinoline-6-sulfonamide
SMILES [?]:
CCOc1ccccc1N(C)S(=O)(=O)c2ccc3c(c2)c(=O)c(c[nH]3)C(=O)N4CCc5ccccc5C4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C28H27N3O5S
All Atoms:64
Heavy Atoms:37
Chiral Atoms:1
ZAP Information [?]
Total:11.6018
Area:732.56
Solvation:-6.71218
Coulombic:-50.3864
Bond Count [?]
All:41
Single:27
Double:14
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:517.597
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:4.4
LogP (Chemaxon):3.79

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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