الاسم: Methyl (3S,4R)-3-((tert-butoxycarbonyl)amino)-4-((6-(2,6-dichloro-3,5-dimethoxyphenyl)-quinazolin-2-yl)amino)cyclopentane-1-carboxylate
SMILES:
COC(=O)C1C[C@H](NC(=O)OC(C)(C)C)[C@H](Nc2ncc3cc(-c4c(Cl)c(OC)cc(OC)c4Cl)ccc3n2)C1Molecular Processing
Molecular formula
C28H32Cl2N4O6
Molecular weight
591.49
Exact mass
590.1699
XLogP
5.88
TPSA
120.9
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
7
Heavy atoms
40
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
1
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
153.41
Supplementary Information
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