CN1CCN(NC(=O)c2ccccc2C(=C2CN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)C2)S(C)(=O)=O)CC1
SMILES: CN1CCN(NC(=O)c2ccccc2C(=C2CN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)C2)S(C)(=O)=O)CC1

Molecular Processing

Molecular formula
C30H32Cl2N4O3S
Molecular weight
599.58
Exact mass
598.1572
XLogP
4.75
TPSA
72.96
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
40
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
161.06

Supplementary Information

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