이름: 7-methyl-5-[3-(4-methyl-piperazin-1-yl)-prop-1-ynyl)-2-(4-phenoxy-benzyl)-2,3-dihydro-isoindol-1-one
SMILES:
Cc1cc(C#CCN2CCN(C)CC2)cc2c1C(=O)N(Cc1ccc(Oc3ccccc3)cc1)C2Molecular Processing
Molecular formula
C30H31N3O2
Molecular weight
465.6
Exact mass
465.2416
XLogP
4.54
TPSA
36.02
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
35
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
138.53
Supplementary Information
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