Cc1cc2nc(-c3ccc4nn(C)c(C)c4c3)sc2c(-c2ccc(Cl)cc2)c1[C@H](OC(C)(C)C)C(=O)O
SMILES: Cc1cc2nc(-c3ccc4nn(C)c(C)c4c3)sc2c(-c2ccc(Cl)cc2)c1[C@H](OC(C)(C)C)C(=O)O

Molecular Processing

Molecular formula
C29H28ClN3O3S
Molecular weight
534.08
Exact mass
533.154
XLogP
7.73
TPSA
77.24
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
37
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.276
Molar refractivity
150.46

Supplementary Information

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