Chemical ID: 6829647

COc1ccc(cc1Cl)NC(=S)N(Cc2ccccc2)Cc3ccc[nH+]c3
Chemical ID:
6829647
Name [?]:
1-benzyl-3-(3-chloro-4-methoxy-phenyl)-1-(1H-pyridin-5-ylmethyl)thiourea
SMILES [?]:
COc1ccc(cc1Cl)NC(=S)N(Cc2ccccc2)Cc3ccc[nH+]c3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H21ClN3OS+
All Atoms:48
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:-21.5741
Area:608.167
Solvation:-36.7783
Coulombic:-19.3072
Bond Count [?]
All:29
Single:19
Double:10
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:398.93
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.96
LogP (Chemaxon):4.83

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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