Nom: 4-(3,5-dichloropyridin-4-ylamino)-7-methoxy-2-oxo-2H-chromen-8-yloxy-tetrahydro-2H-pyran-3,4,5-triyl triacetate
SMILES:
COc1ccc2c(Nc3c(Cl)cncc3Cl)cc(=O)oc2c1O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=OMolecular Processing
Molecular formula
C29H28Cl2N2O13
Molecular weight
683.45
Exact mass
682.0968
XLogP
3.71
TPSA
188.02
H-bond donors
1
H-bond acceptors
15
Rotatable bonds
10
Heavy atoms
46
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
5
Undefined stereo
0
Formal charge
0
Heteroatoms
17
Covalent units
1
Fraction Csp3
0.379
Molar refractivity
159.16
Supplementary Information
Récupération des détails…
Impliqué dans 2 réactions→