الاسم: (4R,9aR)-6-(1-(RS)-hydroxy-ethyl)-4-methyl-3,4,9,9a-tetrahydro-1H-2,4a,5-triaza-fluorene-2-carboxylic acid tert-butyl ester
SMILES:
CC(O)c1ccc2c(n1)N1[C@H](C2)CN(C(=O)OC(C)(C)C)C[C@H]1CMolecular Processing
Molecular formula
C18H27N3O3
Molecular weight
333.43
Exact mass
333.2052
XLogP
2.51
TPSA
65.9
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
1
Heavy atoms
24
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
3
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
92.11
Supplementary Information
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