Chemical ID: 6829762

c1ccc(cc1)CN(Cc2ccc[nH+]c2)C(=S)Nc3ccccc3Cl
Chemical ID:
6829762
Name [?]:
1-benzyl-3-(2-chlorophenyl)-1-(1H-pyridin-5-ylmethyl)thiourea
SMILES [?]:
c1ccc(cc1)CN(Cc2ccc[nH+]c2)C(=S)Nc3ccccc3Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H19ClN3S+
All Atoms:44
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:-19.5276
Area:561.809
Solvation:-33.5729
Coulombic:-14.9805
Bond Count [?]
All:27
Single:17
Double:10
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:368.904
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.04
LogP (Chemaxon):4.44

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