CCOC(=O)c1ncn2c1CN=C(C=Cc1ccc(Cl)c(Cl)c1)c1ccccc1-2
SMILES: CCOC(=O)c1ncn2c1CN=C(C=Cc1ccc(Cl)c(Cl)c1)c1ccccc1-2

Molecular Processing

Molecular formula
C22H17Cl2N3O2
Molecular weight
426.3
Exact mass
425.0698
XLogP
5.37
TPSA
56.48
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
29
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
0.136
Molar refractivity
115.26

Supplementary Information

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