이름: benzotriazol-1-yl 4-[[2-(2-cyano-4-fluoropyrrolidin-1-yl)-2-oxoethyl]-phenylmethoxycarbonylamino]bicyclo[2.2.2]octane-1-carboxylate
SMILES:
C1CC2(CCC1(CC2)C(=O)ON3C4=CC=CC=C4N=N3)N(CC(=O)N5CC(CC5C#N)F)C(=O)OCC6=CC=CC=C6Molecular Processing
Molecular formula
C30H31FN6O5
Molecular weight
574.61
Exact mass
574.234
XLogP
3.58
TPSA
130.65
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
42
Rings
7
Aromatic rings
3
Saturated rings
4
Aliphatic rings
4
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.467
Molar refractivity
145.94
Supplementary Information
InChIKey: QYOBNVYAIPUDLV-UHFFFAOYSA-N
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