Name: 6,6,9-Trimethyl-8-(4-morpholin-4-yl-piperidin-1-yl)-11-oxo-6,11-dihydro-5H-benzo[b]carbazole-3-carbonitrile
SMILES:
Cc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=OMolecular Processing
Molecular formula
C29H32N4O2
Molecular weight
468.6
Exact mass
468.2525
XLogP
4.52
TPSA
72.36
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
35
Rings
6
Aromatic rings
3
Saturated rings
2
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.448
Molar refractivity
137.38
Supplementary Information
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