Chemical ID: 3850765

COc1ccc(cc1)C(=O)CSc2nnc(n2Cc3ccccc3)c4ccccc4O
Chemical ID:
3850765
Name [?]:
2-[[4-benzyl-5-(2-hydroxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)-ethanone
SMILES [?]:
COc1ccc(cc1)C(=O)CSc2nnc(n2Cc3ccccc3)c4ccccc4O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C24H21N3O3S
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:10.8354
Area:651.759
Solvation:-5.45853
Coulombic:-45.8194
Bond Count [?]
All:34
Single:22
Double:12
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:431.508
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:6.34
LogP (Chemaxon):4.52

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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