Chemical ID: 5132199

COc1cc(cc(c1OC)OC)c2nnc(n2c3ccccc3)SCc4ccc(cc4)Cl
Chemical ID:
5132199
Name [?]:
3-[(4-chlorophenyl)methylsulfanyl]-4-phenyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole
SMILES [?]:
COc1cc(cc(c1OC)OC)c2nnc(n2c3ccccc3)SCc4ccc(cc4)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C24H22ClN3O3S
All Atoms:32
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:10.9992
Area:671.024
Solvation:-5.77642
Coulombic:-37.3648
Bond Count [?]
All:35
Single:24
Double:11
Rotors:8
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:467.969
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:7.03
LogP (Chemaxon):5.38

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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