Name: 8-(3-bromo-1H-indazol-5-yl)-6-methyl-1,3,4,8-tetrahydropyrido[2,1-c][1,4]oxazine-7,9-dicarbonitrile
SMILES:
CC1=C(C#N)C(c2ccc3[nH]nc(Br)c3c2)C(C#N)=C2COCCN12Molecular Processing
Molecular formula
C18H14BrN5O
Molecular weight
396.25
Exact mass
395.0382
XLogP
3.33
TPSA
88.73
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
1
Heavy atoms
25
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.278
Molar refractivity
95.01
Supplementary Information
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