Chemical ID: 5369934

Cc1ccc(cc1)c2nnc(n2N)SCC(=O)Nc3ccc(cc3)C(C)(C)C
Chemical ID:
5369934
Name [?]:
2-[[4-amino-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-tert-butylphenyl)-acetamide
SMILES [?]:
Cc1ccc(cc1)c2nnc(n2N)SCC(=O)Nc3ccc(cc3)C(C)(C)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H25N5OS
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:12.6935
Area:637.675
Solvation:-3.24839
Coulombic:-45.0146
Bond Count [?]
All:30
Single:21
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:395.522
H-Bond Donors:3
H-Bond Acceptors:3
XLogP:4.84
LogP (Chemaxon):4.6

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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