이름: 4-(1H-indol-5-yloxy)-5,7-dihydro-pyrrolo[3,4-d]pyrimidine-6-carboxylic acid tert-butyl ester
SMILES:
CC(C)(C)OC(=O)N1Cc2ncnc(Oc3ccc4[nH]ccc4c3)c2C1Molecular Processing
Molecular formula
C19H20N4O3
Molecular weight
352.39
Exact mass
352.1535
XLogP
4
TPSA
80.34
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
26
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.316
Molar refractivity
95.89
Supplementary Information
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