Chemical ID: 6829636

Cc1cccc(c1NC(=S)N(Cc2ccc[nH+]c2)Cc3ccccc3Cl)C
Chemical ID:
6829636
Name [?]:
1-[(2-chlorophenyl)methyl]-3-(2,6-dimethylphenyl)-1-(1H-pyridin-5-ylmethyl)thiourea
SMILES [?]:
Cc1cccc(c1NC(=S)N(Cc2ccc[nH+]c2)Cc3ccccc3Cl)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H23ClN3S+
All Atoms:50
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:-20.5832
Area:572.18
Solvation:-34.8877
Coulombic:-13.3305
Bond Count [?]
All:29
Single:19
Double:10
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:396.957
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.5
LogP (Chemaxon):4.72

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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