Chemical ID: 6828626

c1ccc(c(c1)CN(Cc2ccc[nH+]c2)C(=S)Nc3ccc(cc3)Cl)Cl
Chemical ID:
6828626
Name [?]:
3-(4-chlorophenyl)-1-[(2-chlorophenyl)methyl]-1-(1H-pyridin-5-ylmethyl)thiourea
SMILES [?]:
c1ccc(c(c1)CN(Cc2ccc[nH+]c2)C(=S)Nc3ccc(cc3)Cl)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H18Cl2N3S+
All Atoms:44
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:-20.2926
Area:584.138
Solvation:-34.896
Coulombic:-13.5014
Bond Count [?]
All:28
Single:18
Double:10
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:403.349
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.67
LogP (Chemaxon):5.61

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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