Chemical ID: 3850766

Cc1ccc(cc1)C(=O)CSc2nnc(n2Cc3ccccc3)c4ccccc4O
Chemical ID:
3850766
Name [?]:
2-[[4-benzyl-5-(2-hydroxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(p-tolyl)ethanone
SMILES [?]:
Cc1ccc(cc1)C(=O)CSc2nnc(n2Cc3ccccc3)c4ccccc4O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C24H21N3O2S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:11.7301
Area:632.759
Solvation:-4.08887
Coulombic:-39.5362
Bond Count [?]
All:33
Single:21
Double:12
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:415.509
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:6.86
LogP (Chemaxon):5.24

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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