Название: 2-[3-(2,6-dimethyl-morpholin-4-yl)-phenyl]-3,3-dimethyl-1,2,3,4-tetrahydro-quinoline-6-carboxylic acid ethyl ester
SMILES:
CCOC(=O)c1ccc2c(c1)CC(C)(C)C(c1cccc(N3CC(C)OC(C)C3)c1)N2Molecular Processing
Molecular formula
C26H34N2O3
Molecular weight
422.57
Exact mass
422.2569
XLogP
5.21
TPSA
50.8
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
31
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
124.91
Supplementary Information
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