Name: 2-[(4-Chlorophenyl)methyl]-6-(dipropylamino)-6,7-dihydrocyclopent[f]isoindole-1,3(2H,5H)-dione
SMILES:
CCCN(CCC)C1Cc2cc3c(cc2C1)C(=O)N(Cc1ccc(Cl)cc1)C3=OMolecular Processing
Molecular formula
C24H27ClN2O2
Molecular weight
410.95
Exact mass
410.1761
XLogP
4.73
TPSA
40.62
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
7
Heavy atoms
29
Rings
4
Aromatic rings
2
Saturated rings
0
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
115.45
Supplementary Information
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