Название: tert-butyl 4-[N-[7-chloro-3-methyl-4-oxo-2-(4-phenylpiperazin-1-yl)methyl-3,4-dihydroquinazolin-6-ylmethyl]-N-(prop-2-ynyl)amino]benzoate
SMILES:
C#CCN(Cc1cc2c(=O)n(C)c(CN3CCN(c4ccccc4)CC3)nc2cc1Cl)c1ccc(C(=O)OC(C)(C)C)cc1Molecular Processing
Molecular formula
C35H38ClN5O3
Molecular weight
612.17
Exact mass
611.2663
XLogP
5.5
TPSA
70.91
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
44
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.343
Molar refractivity
177.42
Supplementary Information
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