الاسم: acetic acid 2-(2S,5R)-(5-tert-butoxycarbonylamino-tetrahydro-pyran-2-ylmethyl)-9-fluoro-8-methoxy-1,2-dihydro-furo[2,3-c]quinolin-1-yl ester
SMILES:
COc1ccc2ncc3c(c2c1F)C(OC(C)=O)[C@H](CC1CC[C@@H](NC(=O)OC(C)(C)C)CO1)O3Molecular Processing
Molecular formula
C25H31FN2O7
Molecular weight
490.53
Exact mass
490.2115
XLogP
4.21
TPSA
105.21
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
5
Heavy atoms
35
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
4
Undefined stereo
2
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.56
Molar refractivity
123.92
Supplementary Information
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