Chemical ID: 6175010

c1cc(cc(c1)Br)CN(Cc2cccnc2)C(=S)Nc3ccc(cc3)Br
Chemical ID:
6175010
Name [?]:
3-(4-bromophenyl)-1-[(3-bromophenyl)methyl]-1-(3-pyridylmethyl)thiourea
SMILES [?]:
c1cc(cc(c1)Br)CN(Cc2cccnc2)C(=S)Nc3ccc(cc3)Br
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H17Br2N3S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:12.6253
Area:599.522
Solvation:-2.36276
Coulombic:-26.6588
Bond Count [?]
All:28
Single:18
Double:10
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:491.243
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:6.02
LogP (Chemaxon):6.15

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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