CC1=CC(=CC2=C1N=C(OC2=O)C3=CC(=NN3C4=C(C=CC=N4)Cl)Br)C#N
CAS: 736995-64-5
Nom: 2-[3-bromo-1-(3-chloro-2-pyridinyl)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)Br)C#N

Molecular Processing

Molecular formula
C18H9BrClN5O2
Molecular weight
442.66
Exact mass
440.9628
XLogP
4.03
TPSA
97.6
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
27
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.056
Molar refractivity
102.79

Supplementary Information

InChIKey: INKMAGKGDPLJDP-UHFFFAOYSA-N
Synonymes
736995-64-52-[3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazol-5-yl]-8-methyl-4-oxo-4H-3,1-benzoxazine-6-carbonitrileSCHEMBL465751SCHEMBL29669886INKMAGKGDPLJDP-UHFFFAOYSA-NEBC-46081EN300-7547821Z42439654742-(3-Bromo-1-(3-chloropyridin-2-yl)-1H-pyrazol-5-yl)-8-methyl-4-oxo-4H-benzo[d][1,3]oxazine-6-carbonitrile2-[3-bromo-1-(3-chloro-2-pyridinyl)-1H-pyrazol-5-yl]-6-cyano-8-methyl-4H-3,1-benzoxazin-4-one2-[3-bromo-1-(3-chloro-2-pyridinyl)-1H-pyrazol-5-yl]-8-methyl-4-oxo-4H-3,1-benzoxazine-6-carbonitrile
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Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→