Name: ethyl 4-(4-(3,5-dichloropyridin-4-ylamino)-7-methoxy-2-oxo-2H-chromen-8-yloxy)butanoate
SMILES:
CCOC(=O)CCCOc1c(OC)ccc2c(Nc3c(Cl)cncc3Cl)cc(=O)oc12Molecular Processing
Molecular formula
C21H20Cl2N2O6
Molecular weight
467.31
Exact mass
466.0698
XLogP
4.97
TPSA
99.89
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
9
Heavy atoms
31
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
117.94
Supplementary Information
Fetching details…
Involved in 4 reactions→