Chemical ID: 5302438

COc1ccc(cc1)n2c(nnc2SCc3ccc(cc3)[N+](=O)[O-])c4cccc(c4)OC
Chemical ID:
5302438
Name [?]:
3-(3-methoxyphenyl)-4-(4-methoxyphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole
SMILES [?]:
COc1ccc(cc1)n2c(nnc2SCc3ccc(cc3)[N+](=O)[O-])c4cccc(c4)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C23H20N4O4S
All Atoms:32
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:7.22634
Area:681.289
Solvation:-9.80588
Coulombic:-40.6783
Bond Count [?]
All:35
Single:23
Double:12
Rotors:8
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:448.495
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:6.67
LogP (Chemaxon):5.06

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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