Name: (3-{3-[4-(4-amino-quinazolin-7-ylmethyl)-3-oxo-piperazin-1-yl]-prop-1-ynyl}-pyridin-4-yl)-carbamic acid tert-butyl ester
SMILES:
CC(C)(C)OC(=O)Nc1ccncc1C#CCN1CCN(Cc2ccc3c(N)ncnc3c2)C(=O)C1Molecular Processing
Molecular formula
C26H29N7O3
Molecular weight
487.56
Exact mass
487.2332
XLogP
2.65
TPSA
126.57
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
4
Heavy atoms
36
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.346
Molar refractivity
136.78
Supplementary Information
Details werden geladen…
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