Chemical ID: 6316410

COc1ccc(c(c1)OC)CN(C2CCCC2)C(=S)Nc3ccc(cc3)Cl
Chemical ID:
6316410
Name [?]:
3-(4-chlorophenyl)-1-cyclopentyl-1-[(2,4-dimethoxyphenyl)methyl]thiourea
SMILES [?]:
COc1ccc(c(c1)OC)CN(C2CCCC2)C(=S)Nc3ccc(cc3)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H25ClN2O2S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:11.4252
Area:588.778
Solvation:-3.29428
Coulombic:-35.91
Bond Count [?]
All:29
Single:22
Double:7
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:404.954
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:5.68
LogP (Chemaxon):5.31

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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