Chemical ID: 6603174

CC(C)c1ccccc1n2c(nnc2SCc3ccc(cc3)F)c4ccc(cc4)OC
Chemical ID:
6603174
Name [?]:
3-[(4-fluorophenyl)methylsulfanyl]-4-(2-isopropylphenyl)-5-(4-methoxyphenyl)-1,2,4-triazole
SMILES [?]:
CC(C)c1ccccc1n2c(nnc2SCc3ccc(cc3)F)c4ccc(cc4)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C25H24FN3OS
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:12.3157
Area:638.385
Solvation:-3.64388
Coulombic:-27.6471
Bond Count [?]
All:34
Single:23
Double:11
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:433.542
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:8.34
LogP (Chemaxon):6.7

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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