Chemical ID: 3856957

CCOc1ccc(cc1)NC(=S)N(Cc2cc3ccc(c(c3[nH]c2=O)C)C)C4CCCC4
Chemical ID:
3856957
Name [?]:
1-cyclopentyl-1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-ethoxyphenyl)-thiourea
SMILES [?]:
CCOc1ccc(cc1)NC(=S)N(Cc2cc3ccc(c(c3[nH]c2=O)C)C)C4CCCC4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C26H31N3O2S
All Atoms:32
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:12.958
Area:660.575
Solvation:-3.55634
Coulombic:-49.123
Bond Count [?]
All:35
Single:26
Double:9
Rotors:8
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:449.609
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:5.36
LogP (Chemaxon):6.21

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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