SMILES:
COc1nc(CC(C)(C)C)cc2c1OC1(CCC1)C[C@@H]2NC[C@@H](O)[C@H](Cc1cccc(F)c1)NC(C)=OMolecular Processing
Molecular formula
C29H40FN3O4
Molecular weight
513.65
Exact mass
513.3003
XLogP
4.26
TPSA
92.71
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
37
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
3
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.586
Molar refractivity
140.23
Supplementary Information
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Involved in 2 reactions→