Chemical ID: 3912691

c1ccc(cc1)n2c(nnc2SCc3ccc(cc3)Cl)CNc4ccccc4Cl
Chemical ID:
3912691
Name [?]:
2-chloro-N-[[5-[(4-chlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]aniline
SMILES [?]:
c1ccc(cc1)n2c(nnc2SCc3ccc(cc3)Cl)CNc4ccccc4Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H18Cl2N4S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:14.7071
Area:675.514
Solvation:-2.18075
Coulombic:-28.971
Bond Count [?]
All:32
Single:21
Double:11
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:441.377
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:7.73
LogP (Chemaxon):5.97

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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