Chemical ID: 4380031

Cc1ccc(cc1)n2c(nnc2SCC(=O)c3cccc(c3)[N+](=O)[O-])c4ccc(c(c4)OC)OC
Chemical ID:
4380031
Name [?]:
2-[[5-(3,4-dimethoxyphenyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(3-nitrophenyl)-ethanone
SMILES [?]:
Cc1ccc(cc1)n2c(nnc2SCC(=O)c3cccc(c3)[N+](=O)[O-])c4ccc(c(c4)OC)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C25H22N4O5S
All Atoms:35
Heavy Atoms:35
Chiral Atoms:0
ZAP Information [?]
Total:6.08338
Area:730.641
Solvation:-12.1826
Coulombic:-45.8762
Bond Count [?]
All:38
Single:25
Double:13
Rotors:9
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:490.532
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:6.45
LogP (Chemaxon):4.6

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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