Chemical ID: 5130792

CCn1c(nnc1SCC(=O)Nc2c(cc(cc2C)C)C)Cc3ccccc3
Chemical ID:
5130792
Name [?]:
2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)-acetamide
SMILES [?]:
CCn1c(nnc1SCC(=O)Nc2c(cc(cc2C)C)C)Cc3ccccc3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H26N4OS
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:12.723
Area:637.728
Solvation:-3.2202
Coulombic:-33.0207
Bond Count [?]
All:30
Single:21
Double:9
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:394.534
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.65
LogP (Chemaxon):3.58

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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