Chemical ID: 6911195

COc1ccc(cc1)n2c(nnc2SCc3ccccc3)c4ccc(c(c4)OC)OC
Chemical ID:
6911195
Name [?]:
3-benzylsulfanyl-5-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)-1,2,4-triazole
SMILES [?]:
COc1ccc(cc1)n2c(nnc2SCc3ccccc3)c4ccc(c(c4)OC)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C24H23N3O3S
All Atoms:54
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:10.3547
Area:666.039
Solvation:-6.29631
Coulombic:-36.0459
Bond Count [?]
All:34
Single:23
Double:11
Rotors:8
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:433.524
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:6.55
LogP (Chemaxon):4.86

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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