Nom: 3-(1-{3-[2-(6-benzyloxy-3-oxo-3,4-dihydro-2H-benzo[1,4]oxazin-8-yl)-2-hydroxy-ethylamino]-3-methyl-butyl}-5-methyl-1H-[1,2,4]triazol-3-yl)-benzoic acid trifluoroacetate
SMILES:
Cc1nc(-c2cccc(C(=O)O)c2)nn1CCC(C)(C)NCC(O)c1cc(OCc2ccccc2)cc2c1OCC(=O)N2.O=C(O)C(F)(F)FMolecular Processing
Molecular formula
C34H36F3N5O8
Molecular weight
699.68
Exact mass
699.2516
XLogP
4.99
TPSA
185.13
H-bond donors
5
H-bond acceptors
9
Rotatable bonds
12
Heavy atoms
50
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
16
Covalent units
2
Fraction Csp3
0.324
Molar refractivity
173.84
Supplementary Information
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