Chemical ID: 6312393

Cc1ccc(cc1Cl)NC(=S)N(Cc2ccc(cc2OC)OC)C3CCCC3
Chemical ID:
6312393
Name [?]:
3-(3-chloro-4-methyl-phenyl)-1-cyclopentyl-1-[(2,4-dimethoxyphenyl)methyl]thiourea
SMILES [?]:
Cc1ccc(cc1Cl)NC(=S)N(Cc2ccc(cc2OC)OC)C3CCCC3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H27ClN2O2S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.8925
Area:604.732
Solvation:-3.2258
Coulombic:-36.3247
Bond Count [?]
All:30
Single:23
Double:7
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:418.981
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:5.9
LogP (Chemaxon):5.77

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue