Cc1cc2nc(-c3ccnc(-c4ccc5c(cnn5C)c4)c3)sc2c(-c2ccc(Cl)cc2)c1[C@@H](COC(=O)C(C)(C)C)OC(C)(C)C
SMILES: Cc1cc2nc(-c3ccnc(-c4ccc5c(cnn5C)c4)c3)sc2c(-c2ccc(Cl)cc2)c1[C@@H](COC(=O)C(C)(C)C)OC(C)(C)C

Molecular Processing

Molecular formula
C38H39ClN4O3S
Molecular weight
667.28
Exact mass
666.2431
XLogP
9.99
TPSA
79.13
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
47
Rings
6
Aromatic rings
6
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.316
Molar refractivity
191.73

Supplementary Information

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