SMILES:
O=C(Cn1c(Cl)cnc(NC2COCC2OCC2CC2)c1=O)NCc1cnc2[nH]cc(Cl)c2c1Molecular Processing
Molecular formula
C22H24Cl2N6O4
Molecular weight
507.38
Exact mass
506.1236
XLogP
2.35
TPSA
123.16
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
9
Heavy atoms
34
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.455
Molar refractivity
127.15
Supplementary Information
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