Chemical ID: 6175001

c1ccc(c(c1)CN(Cc2cccnc2)C(=S)Nc3ccc(cc3)Br)Cl
Chemical ID:
6175001
Name [?]:
3-(4-bromophenyl)-1-[(2-chlorophenyl)methyl]-1-(3-pyridylmethyl)thiourea
SMILES [?]:
c1ccc(c(c1)CN(Cc2cccnc2)C(=S)Nc3ccc(cc3)Br)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H17BrClN3S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:12.0814
Area:565.685
Solvation:-2.06076
Coulombic:-27.4031
Bond Count [?]
All:28
Single:18
Double:10
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:446.792
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.84
LogP (Chemaxon):5.88

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