SMILES:
CCOC(=O)C1=C(N(CC)CC)OC(=Cc2c[nH]c3ncccc23)C1=O.ClMolecular Processing
Molecular formula
C19H22ClN3O4
Molecular weight
391.86
Exact mass
391.1299
XLogP
3.04
TPSA
84.52
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
27
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
2
Fraction Csp3
0.316
Molar refractivity
103.99
Supplementary Information
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