Name: N-benzyl-N-tert-butoxycarbonyl-(3-trifluoromethoxy-6,7,8,9-tetrahydro-5H-benzocyclohepten-6-yl)amine
SMILES:
CC(C)(C)OC(=O)N(Cc1ccccc1)C1CCCc2ccc(OC(F)(F)F)cc2C1Molecular Processing
Molecular formula
C24H28F3NO3
Molecular weight
435.49
Exact mass
435.2021
XLogP
6.27
TPSA
38.77
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
31
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.458
Molar refractivity
111.77
Supplementary Information
Details werden geladen…
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