Chemical ID: 6829650

COc1ccc(cc1Cl)NC(=S)N(Cc2cccnc2)Cc3ccccc3Cl
Chemical ID:
6829650
Name [?]:
3-(3-chloro-4-methoxy-phenyl)-1-[(2-chlorophenyl)methyl]-1-(3-pyridylmethyl)thiourea
SMILES [?]:
COc1ccc(cc1Cl)NC(=S)N(Cc2cccnc2)Cc3ccccc3Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H19Cl2N3OS
All Atoms:47
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:12.1969
Area:636.143
Solvation:-3.70665
Coulombic:-33.9819
Bond Count [?]
All:30
Single:20
Double:10
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:432.367
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.58
LogP (Chemaxon):5.35

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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