Name: 2-(7-chloro-1,8-naphthyridin-2-yl)-3-(piperazin-1-yl)carbonyloxy-isoindolin-1-one
SMILES:
O=C(OC1c2ccccc2C(=O)N1c1ccc2ccc(Cl)nc2n1)N1CCNCC1Molecular Processing
Molecular formula
C21H18ClN5O3
Molecular weight
423.86
Exact mass
423.1098
XLogP
2.98
TPSA
87.66
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
30
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.238
Molar refractivity
111.46
Supplementary Information
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