الاسم: 4-(2-(((1R,2S)-2-((tert-butoxycarbonyl)amino)cyclopentyl)amino)quinazolin-6-yl)-3-methoxybenzoic acid
SMILES:
COc1cc(C(=O)O)ccc1-c1ccc2nc(N[C@@H]3CCC[C@@H]3NC(=O)OC(C)(C)C)ncc2c1Molecular Processing
Molecular formula
C26H30N4O5
Molecular weight
478.55
Exact mass
478.2216
XLogP
4.86
TPSA
122.67
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
35
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
132.9
Supplementary Information
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