이름: methyl 1-(2-(1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-4-ylamino)ethyl)-7-methoxy-2-oxo-1,2-dihydroquinoline-4-carboxylate
SMILES:
COC(=O)c1cc(=O)n(CCNC2CCN(Cc3ccc4c(c3)OCCO4)CC2)c2cc(OC)ccc12Molecular Processing
Molecular formula
C28H33N3O6
Molecular weight
507.59
Exact mass
507.2369
XLogP
2.82
TPSA
91.26
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
37
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
139.83
Supplementary Information
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