Chemical ID: 5441074

COc1cccc(c1)c2nnc(n2c3ccccc3)SCc4cccc(c4)Cl
Chemical ID:
5441074
Name [?]:
3-[(3-chlorophenyl)methylsulfanyl]-5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazole
SMILES [?]:
COc1cccc(c1)c2nnc(n2c3ccccc3)SCc4cccc(c4)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H18ClN3OS
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:12.7043
Area:624.074
Solvation:-2.89756
Coulombic:-24.0761
Bond Count [?]
All:31
Single:20
Double:11
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:407.917
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:7.61
LogP (Chemaxon):5.88

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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