Name: 3-methyl-3-[(R)-1-((R)-4-methyl-3-oxo-2,3,4,10-tetrahydro-9-oxa-1,2,4a-triaza-phenanthren-6-yl)-ethyl]-azetidine-1-carboxylic acid tert-butyl ester
SMILES:
C[C@@H]1C(=O)NN=C2COc3ccc([C@@H](C)C4(C)CN(C(=O)OC(C)(C)C)C4)cc3N21Molecular Processing
Molecular formula
C22H30N4O4
Molecular weight
414.51
Exact mass
414.2267
XLogP
3.08
TPSA
83.47
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
30
Rings
4
Aromatic rings
1
Saturated rings
1
Aliphatic rings
3
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.591
Molar refractivity
113.78
Supplementary Information
Details werden geladen…
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