Chemical ID: 5898790

CCC(C)NC(=O)c1cc(ccc1N2CCc3ccccc3C2)NC(=O)c4ccc(cc4)OC
Chemical ID:
5898790
Name [?]:
2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(4-methoxybenzoyl)amino-N-sec-butyl-benzamide
SMILES [?]:
CCC(C)NC(=O)c1cc(ccc1N2CCc3ccccc3C2)NC(=O)c4ccc(cc4)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C28H31N3O3
All Atoms:34
Heavy Atoms:34
Chiral Atoms:2
ZAP Information [?]
Total:12.4057
Area:715.44
Solvation:-5.4803
Coulombic:-57.0775
Bond Count [?]
All:37
Single:26
Double:11
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:457.564
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:5.32
LogP (Chemaxon):4.99

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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