Cc1cccc(-c2sc(C)nc2C(=O)N2C[C@@H]3CC(C)C[C@@H]3[C@H]2CNC(=O)c2c(C)nc3sccn23)c1
SMILES: Cc1cccc(-c2sc(C)nc2C(=O)N2C[C@@H]3CC(C)C[C@@H]3[C@H]2CNC(=O)c2c(C)nc3sccn23)c1

Molecular Processing

Molecular formula
C28H31N5O2S2
Molecular weight
533.72
Exact mass
533.1919
XLogP
5.36
TPSA
79.6
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
37
Rings
6
Aromatic rings
4
Saturated rings
2
Aliphatic rings
2
Stereo centers
4
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
147.37

Supplementary Information

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