Chemical ID: 6455799

c1ccc(cc1)n2c(nnc2SCC(=O)Nc3ccc(cc3)Cl)c4cccc(c4)[N+](=O)[O-]
Chemical ID:
6455799
Name [?]:
N-(4-chlorophenyl)-2-[[5-(3-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILES [?]:
c1ccc(cc1)n2c(nnc2SCC(=O)Nc3ccc(cc3)Cl)c4cccc(c4)[N+](=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H16ClN5O3S
All Atoms:32
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:8.80667
Area:692.389
Solvation:-8.50305
Coulombic:-45.9377
Bond Count [?]
All:35
Single:22
Double:13
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:465.913
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:6.49
LogP (Chemaxon):5.18

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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