SMILES:
CCOCc1nc2c(cc1Cl)CC1CN(C(=O)OC(C)(C)C)CC(C)N21Molecular Processing
Molecular formula
C19H28ClN3O3
Molecular weight
381.9
Exact mass
381.1819
XLogP
3.64
TPSA
54.9
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
26
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.684
Molar refractivity
101.82
Supplementary Information
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