名称: 6-(3-chloro-4-fluoro-phenyl)-8-ethyl-8-methyl-5,6,7,8-tetrahydro-[1,5]naphthyridine-2-carboxylic acid methyl ester
SMILES:
CCC1(C)CC(c2ccc(F)c(Cl)c2)Nc2ccc(C(=O)OC)nc21Molecular Processing
Molecular formula
C19H20ClFN2O2
Molecular weight
362.83
Exact mass
362.1197
XLogP
4.89
TPSA
51.22
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
25
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.368
Molar refractivity
95.61
Supplementary Information
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