COC(=O)c1cc(F)cc2c1NC(c1cccc(N3CCN(c4ccccc4C)CC3)c1)CC2(C)C
이름: 6-fluoro-4,4-dimethyl-2-[3-(4-o-tolyl-piperazin-1-yl)-phenyl]-1,2,3,4-tetrahydro-quinoline-8-carboxylic acid methyl ester
SMILES: COC(=O)c1cc(F)cc2c1NC(c1cccc(N3CCN(c4ccccc4C)CC3)c1)CC2(C)C

Molecular Processing

Molecular formula
C30H34FN3O2
Molecular weight
487.62
Exact mass
487.2635
XLogP
6.08
TPSA
44.81
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
36
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.367
Molar refractivity
143.79

Supplementary Information

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