이름: tert-butyl(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)(1-(2-(4-chloro-7-fluoro-2-oxoquinolin-1(2H)-yl)ethyl)piperidin-4-yl)carbamate
SMILES:
CC(C)(C)OC(=O)N(Cc1ccc2c(c1)OCCO2)C1CCN(CCn2c(=O)cc(Cl)c3ccc(F)cc32)CC1Molecular Processing
Molecular formula
C30H35ClFN3O5
Molecular weight
572.08
Exact mass
571.2249
XLogP
5.47
TPSA
73.24
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
40
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.467
Molar refractivity
151.85
Supplementary Information
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