الاسم: tert-butyl ((1S,2R)-2-((6-(4-(cyclopropylcarbamoyl)-2-methoxyphenyl)quinazolin-2-yl)amino)cyclopentyl)carbamate
SMILES:
COc1cc(C(=O)NC2CC2)ccc1-c1ccc2nc(N[C@@H]3CCC[C@@H]3NC(=O)OC(C)(C)C)ncc2c1Molecular Processing
Molecular formula
C29H35N5O4
Molecular weight
517.63
Exact mass
517.2689
XLogP
5.06
TPSA
114.47
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
38
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.448
Molar refractivity
146.43
Supplementary Information
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