이름: (4R,9aR)-6-chloro-4,7-dimethyl-3,4,9,9a-tetrahydro-1H-2,4a,5-triaza-fluorene-2-carboxylic acid tert-butyl ester
SMILES:
Cc1cc2c(nc1Cl)N1[C@H](C2)CN(C(=O)OC(C)(C)C)C[C@H]1CMolecular Processing
Molecular formula
C17H24ClN3O2
Molecular weight
337.85
Exact mass
337.1557
XLogP
3.41
TPSA
45.67
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
0
Heavy atoms
23
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
0.647
Molar refractivity
91.22
Supplementary Information
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