Nom: 6-chloro-3,3-dimethyl-2-(3-morpholin-4-yl-phenyl)-1,2,3,4-tetrahydro-quinoline-8-carboxylic acid
SMILES:
CC1(C)Cc2cc(Cl)cc(C(=O)O)c2NC1c1cccc(N2CCOCC2)c1Molecular Processing
Molecular formula
C22H25ClN2O3
Molecular weight
400.91
Exact mass
400.1554
XLogP
4.61
TPSA
61.8
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
28
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.409
Molar refractivity
111.73
Supplementary Information
Récupération des détails…
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