Name: 1-(4-ethylpiperazin-1-yl)-3-(2-ethoxycarbonylindan-5-yl)isoquinoline
SMILES:
CCOC(=O)C1Cc2ccc(-c3cc4ccccc4c(N4CCN(CC)CC4)n3)cc2C1Molecular Processing
Molecular formula
C27H31N3O2
Molecular weight
429.56
Exact mass
429.2416
XLogP
4.32
TPSA
45.67
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
32
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.407
Molar refractivity
129.04
Supplementary Information
Details werden geladen…
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