CCOC1=CCC(=C=O)N(c2cc(C)nc3c2c(C)c(C)n3-c2ccc(Cl)cc2Cl)C1
SMILES: CCOC1=CCC(=C=O)N(c2cc(C)nc3c2c(C)c(C)n3-c2ccc(Cl)cc2Cl)C1

Molecular Processing

Molecular formula
C24H23Cl2N3O2
Molecular weight
456.37
Exact mass
455.1167
XLogP
6.1
TPSA
47.36
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
31
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.292
Molar refractivity
126.18

Supplementary Information

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