Name: 4-[6-(6-bromo-8-cyclopentyl-5-methyl-7-oxo-7,8-dihydro-pyrido[2,3-d]pyrimidin-2-ylamino)-pyridin-3-yl]-azepane-1-carboxylic acid tert-butyl ester
SMILES:
Cc1c(Br)c(=O)n(C2CCCC2)c2nc(Nc3ccc(C4CCCN(C(=O)OC(C)(C)C)CC4)cn3)ncc12Molecular Processing
Molecular formula
C29H37BrN6O3
Molecular weight
597.56
Exact mass
596.2111
XLogP
6.62
TPSA
102.24
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
39
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.552
Molar refractivity
155.66
Supplementary Information
Details werden geladen…
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