CN(CC1=CC=CC=C1)CC(=C2CCN(CC2)C3=C(C=C4C(=C3OC)N(C=C(C4=O)C(=O)O)C5CC5)F)Cl.C(=O)(C(F)(F)F)O
الاسم: 7-[4-[2-[benzyl(methyl)amino]-1-chloroethylidene]piperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;2,2,2-trifluoroacetic acid
SMILES: CN(CC1=CC=CC=C1)CC(=C2CCN(CC2)C3=C(C=C4C(=C3OC)N(C=C(C4=O)C(=O)O)C5CC5)F)Cl.C(=O)(C(F)(F)F)O

Molecular Processing

Molecular formula
C31H32ClF4N3O6
Molecular weight
654.06
Exact mass
653.1916
XLogP
6.04
TPSA
112.31
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
45
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
14
Covalent units
2
Fraction Csp3
0.387
Molar refractivity
160.74

Supplementary Information

InChIKey: MTSFJKUGLSLHBN-UHFFFAOYSA-N
مرادفات
7-[4-[2-(n-benzyl-n-methylamino)-1-chloroethylidene]piperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid trifluoroacetic acid salt7-{4-[2-(n-benzyl-n-methylamino)-1-chloroethylidene]piperidin-1-yl}-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid trifluoroacetic acid saltSCHEMBL35573157-{4-[2-(Benzyl-methyl-amino)-1-chloro-ethylidene]- piperidin-1-yl}-1-cyclopropyl-6-fluoro-8-methoxy-4- oxo-1,4-dihydro-quinoline-3-carboxylic acid trifluoroacetic acid salt
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