Chemical ID: 5670443

CCc1ccc(cc1)C(=O)C(C)Sc2nnc(n2c3ccccc3)C
Chemical ID:
5670443
Name [?]:
1-(4-ethylphenyl)-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one
SMILES [?]:
CCc1ccc(cc1)C(=O)C(C)Sc2nnc(n2c3ccccc3)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H21N3OS
All Atoms:25
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:11.8814
Area:575.049
Solvation:-2.49481
Coulombic:-22.2136
Bond Count [?]
All:27
Single:18
Double:9
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:351.466
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:6.16
LogP (Chemaxon):4.08

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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