Nombre: (4R,9aR)-6-ethoxymethyl-4-methyl-3,4,9,9a-tetrahydro-1H-2,4a,5-triaza-fluorene-2-carboxylic acid tert-butyl ester
SMILES:
CCOCc1ccc2c(n1)N1[C@H](C2)CN(C(=O)OC(C)(C)C)C[C@H]1CMolecular Processing
Molecular formula
C19H29N3O3
Molecular weight
347.46
Exact mass
347.2209
XLogP
2.99
TPSA
54.9
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
25
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.684
Molar refractivity
96.81
Supplementary Information
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