Chemical ID: 4468161

c1ccc(cc1)c2nnc(n2c3ccccc3)SCC(=O)c4cccc(c4)[N+](=O)[O-]
Chemical ID:
4468161
Name [?]:
2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3-nitrophenyl)-ethanone
SMILES [?]:
c1ccc(cc1)c2nnc(n2c3ccccc3)SCC(=O)c4cccc(c4)[N+](=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H16N4O3S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:7.18098
Area:636.774
Solvation:-8.73837
Coulombic:-34.0587
Bond Count [?]
All:33
Single:20
Double:13
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:416.454
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:6.45
LogP (Chemaxon):4.64

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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