الاسم: 8-(1,4-Dioxa-8-aza-spiro[4.5]dec-8-yl)-9-ethyl-6,6-dimethyl-11-oxo-6,11-dihydro-5H-benzo[b]carbazole-3-carbonitrile
SMILES:
CCc1cc2c(cc1N1CCC3(CC1)OCCO3)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=OMolecular Processing
Molecular formula
C28H29N3O3
Molecular weight
455.56
Exact mass
455.2209
XLogP
4.82
TPSA
78.35
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
34
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
0.429
Molar refractivity
130.48
Supplementary Information
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