名称: 9-acetyl-6,6-dimethyl-11-oxo-8-piperazin-1-yl-5H-benzo[b]carbazole-3-carbonitrile
SMILES:
CC(=O)C1=C(C=C2C(=C1)C(=O)C3=C(C2(C)C)NC4=C3C=CC(=C4)C#N)N5CCNCC5Molecular Processing
Molecular formula
C25H24N4O2
Molecular weight
412.49
Exact mass
412.1899
XLogP
3.52
TPSA
88.99
H-bond donors
2
H-bond acceptors
5
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
6
Covalent units
1
Fraction Csp3
0.32
Molar refractivity
120.1
Supplementary Information
InChIKey: XYXXUMTVHPTEQS-UHFFFAOYSA-N
同義語
SCHEMBL897296XYXXUMTVHPTEQS-UHFFFAOYSA-N9-acetyl-6,6-dimethyl-11-oxo-8-piperazin-1-yl-6,11-dihydro-5H-benzo[b]carbazole-3-carbonitrile
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