Chemical ID: 5899478

CCOCCCNC(=O)c1cc(ccc1N2CCc3ccccc3C2)NC(=O)CCC4CCCC4
Chemical ID:
5899478
Name [?]:
5-(3-cyclopentylpropanoylamino)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-ethoxypropyl)benzamide
SMILES [?]:
CCOCCCNC(=O)c1cc(ccc1N2CCc3ccccc3C2)NC(=O)CCC4CCCC4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C29H39N3O3
All Atoms:35
Heavy Atoms:35
Chiral Atoms:1
ZAP Information [?]
Total:13.8371
Area:782.356
Solvation:-5.72176
Coulombic:-56.028
Bond Count [?]
All:38
Single:30
Double:8
Rotors:13
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:477.638
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:5.73
LogP (Chemaxon):4.56

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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