이름: 4-{6-[8-cyclopentyl-6-(1-ethoxy-vinyl)-5-methyl-7-oxo-7,8-dihydro-pyrido[2,3-d]pyrimidin-2-ylamino]-pyridin-3-yl}-piperazine-1-carboxylic acid tert-butyl ester
SMILES:
C=C(OCC)c1c(C)c2cnc(Nc3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)cn3)nc2n(C2CCCC2)c1=OMolecular Processing
Molecular formula
C31H41N7O4
Molecular weight
575.71
Exact mass
575.322
XLogP
5.42
TPSA
114.71
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
7
Heavy atoms
42
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.516
Molar refractivity
164.24
Supplementary Information
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