CC1=CC(=CC2=C1N=C(OC2=O)C3=CC(=NN3C4=C(C=CC=N4)Cl)C(F)(F)F)C#N
Название: 2-[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]-8-methyl-4-oxo-3,1-benzoxazine-6-carbonitrile
SMILES: CC1=CC(=CC2=C1N=C(OC2=O)C3=CC(=NN3C4=C(C=CC=N4)Cl)C(F)(F)F)C#N

Molecular Processing

Molecular formula
C19H9ClF3N5O2
Molecular weight
431.76
Exact mass
431.0397
XLogP
4.29
TPSA
97.6
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
30
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.105
Molar refractivity
100.1

Supplementary Information

InChIKey: JMVJMUPVBJHOLW-UHFFFAOYSA-N
Синонимы
2-[1-(3-Chloro-2-pyridinyl)-3-(trifluoromethyl)-1H-pyrazol-5-yl]-8-methyl-4-oxo-4H-3,1-benzoxazine-6-carbonitrileSCHEMBL9593112-[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)-1H-pyrazol-5-yl]-6-cyano-8-methyl-4H-3,1-benzoxazin-4-one2-[2-(3-chloro-pyridin-2-yl)-5-trifluoromethyl-2H-pyrazol-3-yl]-8-methyl-4-oxo-4H-benzo[d][1,3]oxazine-6-carbonitrile
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