COCCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cnc2n1[C@](C)(Cc1ccc(-c3cncnc3)cc1)C(=O)N2c1cc(Cl)cc(Cl)c1
SMILES: COCCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cnc2n1[C@](C)(Cc1ccc(-c3cncnc3)cc1)C(=O)N2c1cc(Cl)cc(Cl)c1

Molecular Processing

Molecular formula
C31H31Cl2N7O5S
Molecular weight
684.61
Exact mass
683.1484
XLogP
4.2
TPSA
139.62
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
10
Heavy atoms
46
Rings
6
Aromatic rings
4
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
15
Covalent units
1
Fraction Csp3
0.323
Molar refractivity
172.45

Supplementary Information

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