Chemical ID: 5284695

CCC(C)c1ccc(cc1)NC(=O)C2(Cc3ccccc3C(=O)O2)C
Chemical ID:
5284695
Name [?]:
3-methyl-1-oxo-N-(4-sec-butylphenyl)-isochroman-3-carboxamide
SMILES [?]:
CCC(C)c1ccc(cc1)NC(=O)C2(Cc3ccccc3C(=O)O2)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H23NO3
All Atoms:25
Heavy Atoms:25
Chiral Atoms:2
ZAP Information [?]
Total:10.9442
Area:542.266
Solvation:-2.61245
Coulombic:-44.1072
Bond Count [?]
All:27
Single:19
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:337.412
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.73
LogP (Chemaxon):4.65

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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