SMILES:
Cc1ccccc1Cn1nc(COC(=O)C(c2ccc(Cl)cc2)C(C)C)oc1=OMolecular Processing
Molecular formula
C22H23ClN2O4
Molecular weight
414.89
Exact mass
414.1346
XLogP
4.33
TPSA
74.33
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
29
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.318
Molar refractivity
109.87
Supplementary Information
Details werden geladen…
An 2 Reaktionen beteiligt→