CC(OCc1ccccc1)C(=O)NC1CC(n2cnc3c(Cl)nc(Cl)nc32)C(O)C1O
SMILES: CC(OCc1ccccc1)C(=O)NC1CC(n2cnc3c(Cl)nc(Cl)nc32)C(O)C1O

Molecular Processing

Molecular formula
C20H21Cl2N5O4
Molecular weight
466.33
Exact mass
465.0971
XLogP
1.89
TPSA
122.39
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
31
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
5
Undefined stereo
5
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
113.63

Supplementary Information

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