الاسم: (S)-tert-butyl 3-(6-bromo-2-(2-hydroxyphenyl)quinazolin-4-ylamino)pyrrolidine-1-carboxylate
SMILES:
CC(C)(C)OC(=O)N1CC[C@H](Nc2nc(-c3ccccc3O)nc3ccc(Br)cc23)C1Molecular Processing
Molecular formula
C23H25BrN4O3
Molecular weight
485.38
Exact mass
484.111
XLogP
5.19
TPSA
87.58
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
31
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.348
Molar refractivity
124.17
Supplementary Information
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