CCc1cc2c(cc1N1CCC(=O)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O
名称: 9-Ethyl-6,6-dimethyl-11-oxo-8-(4-oxopiperidin-1-yl)-6,11-dihydro-5H-benzo[b]carbazole-3-carbonitrile
SMILES: CCc1cc2c(cc1N1CCC(=O)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O

Molecular Processing

Molecular formula
C26H25N3O2
Molecular weight
411.51
Exact mass
411.1947
XLogP
4.64
TPSA
76.96
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
31
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
0.346
Molar refractivity
120.85

Supplementary Information

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