SMILES:
CCOC1Cc2ccccc2C1Nc1nc(CC)c(-c2ccc(Cl)cc2Cl)nc1CCMolecular Processing
Molecular formula
C25H27Cl2N3O
Molecular weight
456.42
Exact mass
455.1531
XLogP
6.69
TPSA
47.04
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
31
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.36
Molar refractivity
128.17
Supplementary Information
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