Chemical ID: 4344063

c1ccc(cc1)n2c(nnc2SCC(=O)c3cccc(c3)[N+](=O)[O-])c4cccc(c4)Cl
Chemical ID:
4344063
Name [?]:
2-[[5-(3-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(3-nitrophenyl)-ethanone
SMILES [?]:
c1ccc(cc1)n2c(nnc2SCC(=O)c3cccc(c3)[N+](=O)[O-])c4cccc(c4)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H15ClN4O3S
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:8.08
Area:672.424
Solvation:-8.7306
Coulombic:-33.9823
Bond Count [?]
All:34
Single:21
Double:13
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:450.898
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:7.07
LogP (Chemaxon):5.16

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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