CC(C)CNc1nc(-c2ccc(S(=O)C3CC3)cc2)cn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc12
SMILES: CC(C)CNc1nc(-c2ccc(S(=O)C3CC3)cc2)cn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc12

Molecular Processing

Molecular formula
C29H31N5O2S
Molecular weight
513.67
Exact mass
513.2198
XLogP
5.29
TPSA
88.39
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
9
Heavy atoms
37
Rings
6
Aromatic rings
4
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.345
Molar refractivity
147.11

Supplementary Information

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