Chemical ID: 5538731

CC(C)(C)c1ccc(cc1)c2nnc(n2CC=C)SCC(=O)NCC(F)(F)F
Chemical ID:
5538731
Name [?]:
2-[[4-allyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide
SMILES [?]:
CC(C)(C)c1ccc(cc1)c2nnc(n2CC=C)SCC(=O)NCC(F)(F)F
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H23F3N4OS
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.992
Area:621.651
Solvation:-3.54924
Coulombic:-53.7426
Bond Count [?]
All:29
Single:22
Double:7
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:412.473
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:6.82
LogP (Chemaxon):4.48

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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