名称: N—[(S)-5-(2-benzyloxy-ethyl)-6-oxo-6,7-dihydro-5H-dibenzo[b,d]azepin-7-yl]-2-ethoxy-N′-(2,2,3,3,3-pentafluoro-propyl)-malonamide
SMILES:
CCOC(C(=O)NCC(F)(F)C(F)(F)F)C(=O)N[C@@H]1C(=O)N(CCOCc2ccccc2)c2ccccc2-c2ccccc21Molecular Processing
Molecular formula
C31H30F5N3O5
Molecular weight
619.59
Exact mass
619.2106
XLogP
4.79
TPSA
96.97
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
12
Heavy atoms
44
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.323
Molar refractivity
150.64
Supplementary Information
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