Chemical ID: 5820437

CCC(C)OC(=O)C1=C(NC2=C(C1c3cc4c(cc3Cl)OCO4)C(=O)CC(C2)c5ccccc5)C
Chemical ID:
5820437
Name [?]:
sec-butyl 4-(6-chlorobenzo[1,3]dioxol-5-yl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
SMILES [?]:
CCC(C)OC(=O)C1=C(NC2=C(C1c3cc4c(cc3Cl)OCO4)C(=O)CC(C2)c5ccccc5)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C28H28ClNO5
All Atoms:35
Heavy Atoms:35
Chiral Atoms:3
ZAP Information [?]
Total:12.3592
Area:670.562
Solvation:-4.40486
Coulombic:-55.5062
Bond Count [?]
All:39
Single:29
Double:10
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:493.978
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:5.19
LogP (Chemaxon):3.97

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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