Name: (R)-Benzyl 3-(1-(7-chloro-4-oxo-3-(phenylamino)-3,4-dihydroquinazolin-2-yl)but-3-ynylamino)propylcarbamate
SMILES:
C#CC[C@@H](NCCCNC(=O)OCc1ccccc1)c1nc2cc(Cl)ccc2c(=O)n1Nc1ccccc1Molecular Processing
Molecular formula
C29H28ClN5O3
Molecular weight
530.03
Exact mass
529.1881
XLogP
4.9
TPSA
97.28
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
11
Heavy atoms
38
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.207
Molar refractivity
149.92
Supplementary Information
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