Chemical ID: 5307408

Cc1cc(cc(c1)NC(=O)CSc2nnc(n2CC=C)c3ccccc3)C
Chemical ID:
5307408
Name [?]:
2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,5-dimethylphenyl)-acetamide
SMILES [?]:
Cc1cc(cc(c1)NC(=O)CSc2nnc(n2CC=C)c3ccccc3)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H22N4OS
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:12.4696
Area:615.03
Solvation:-2.90618
Coulombic:-35.9206
Bond Count [?]
All:29
Single:19
Double:10
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:378.492
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:6.02
LogP (Chemaxon):4.97

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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