Name: (R)-6-chloro-4-methyl-3,4-dihydro-1H-2,4a,5-triaza-fluorene-2-carboxylic acid tert-butyl ester
SMILES:
C[C@@H]1CN(C(=O)OC(C)(C)C)Cc2cc3ccc(Cl)nc3n21Molecular Processing
Molecular formula
C16H20ClN3O2
Molecular weight
321.81
Exact mass
321.1244
XLogP
4
TPSA
47.36
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
22
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
86.1
Supplementary Information
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