Name: 2-[5-(4-tert-butoxycarbonyl-piperazin-1-yl)-pyridin-2-ylamino]-8-cyclopentyl-5-methyl-7-oxo-7,8-dihydro-pyrido[2,3-d]pyrimidine-6-carboxylic acid ethyl ester
SMILES:
CCOC(=O)c1c(C)c2cnc(Nc3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)cn3)nc2n(C2CCCC2)c1=OMolecular Processing
Molecular formula
C30H39N7O5
Molecular weight
577.69
Exact mass
577.3013
XLogP
4.59
TPSA
131.78
H-bond donors
1
H-bond acceptors
10
Rotatable bonds
6
Heavy atoms
42
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.533
Molar refractivity
159.54
Supplementary Information
Details werden geladen…
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