الاسم: 1-(2,4-dichlorophenyl)-4-(3-ethoxycarbonyl-4-hydroxypiperidin-1-yl)-2,3,6-trimethyl-1H-pyrrolo[2,3-b]pyridine
SMILES:
CCOC(=O)C1CN(c2cc(C)nc3c2c(C)c(C)n3-c2ccc(Cl)cc2Cl)CCC1OMolecular Processing
Molecular formula
C24H27Cl2N3O3
Molecular weight
476.4
Exact mass
475.1429
XLogP
5.01
TPSA
67.59
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
32
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
128.26
Supplementary Information
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