SMILES:
COC(=O)C(OC(C)(C)C)c1c(C)nc2c(c1-c1ccc(C)cc1)CNCC2.Cl.ClMolecular Processing
Molecular formula
C23H32Cl2N2O3
Molecular weight
455.43
Exact mass
454.179
XLogP
4.88
TPSA
60.45
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
30
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
3
Fraction Csp3
0.478
Molar refractivity
124.65
Supplementary Information
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