CC(C)(C)OC(=O)N1CCC(C(C1)OCC2=CC3=C(CCCN3CCCOS(=O)(=O)C)C=C2)C4=CC=C(C=C4)OCCCOCC5=CC=CC=C5OC
Name: tert-butyl 4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]-3-[[1-(3-methylsulfonyloxypropyl)-3,4-dihydro-2H-quinolin-7-yl]methoxy]piperidine-1-carboxylate
SMILES: CC(C)(C)OC(=O)N1CCC(C(C1)OCC2=CC3=C(CCCN3CCCOS(=O)(=O)C)C=C2)C4=CC=C(C=C4)OCCCOCC5=CC=CC=C5OC

Molecular Processing

Molecular formula
C41H56N2O9S
Molecular weight
752.97
Exact mass
752.3707
XLogP
7.11
TPSA
113.07
H-bond donors
0
H-bond acceptors
10
Rotatable bonds
17
Heavy atoms
53
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.537
Molar refractivity
205.33

Supplementary Information

InChIKey: MNFGIJTXGUGODG-UHFFFAOYSA-N
Synonyme
SCHEMBL5556382
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