Chemical ID: 4553098

CC1=C(N2C(C(C2=O)NC(=O)c3c(c(nn3C)C(F)(F)F)Br)SC1)C(=O)O
Chemical ID:
4553098
Name [?]:
7-[4-bromo-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]carbonylamino-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SMILES [?]:
CC1=C(N2C(C(C2=O)NC(=O)c3c(c(nn3C)C(F)(F)F)Br)SC1)C(=O)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C14H12BrF3N4O4S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:2
ZAP Information [?]
Total:8.34773
Area:553.209
Solvation:-5.48249
Coulombic:-88.6481
Bond Count [?]
All:29
Single:23
Double:6
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:469.235
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:1.37
LogP (Chemaxon):1.01

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Descriptor Annotations

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