Name: (R)-benzyl 3-(3-chloro-2-fluoro-N-(1-(4-oxo-3-(phenylamino)-3,4-dihydropyrido[3,2-d]pyrimidin-2-yl)but-3-ynyl)benzamido)propylcarbamate
SMILES:
C#CC[C@H](c1nc2cccnc2c(=O)n1Nc1ccccc1)N(CCCNC(=O)OCc1ccccc1)C(=O)c1cccc(Cl)c1FMolecular Processing
Molecular formula
C35H30ClFN6O4
Molecular weight
653.11
Exact mass
652.2001
XLogP
5.98
TPSA
118.45
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
12
Heavy atoms
47
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.171
Molar refractivity
177.14
Supplementary Information
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