Name: tert-butyl 3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-6,6-dimethyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5(1H)-carboxylate
SMILES:
CC(C)(C)OC(=O)N1Cc2c(Nc3nc(Cl)ncc3F)n[nH]c2C1(C)CMolecular Processing
Molecular formula
C16H20ClFN6O2
Molecular weight
382.83
Exact mass
382.132
XLogP
3.72
TPSA
96.03
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
26
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
93.67
Supplementary Information
Details werden geladen…
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