SMILES:
CC(C)(C)OC(=O)c1ncn2c1C1CCCN1C(=O)c1c-2ccc(Cl)c1ClMolecular Processing
Molecular formula
C19H19Cl2N3O3
Molecular weight
408.29
Exact mass
407.0803
XLogP
4.43
TPSA
64.43
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
27
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.421
Molar refractivity
101.76
Supplementary Information
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