Cc1nc(C(=O)N2CC3CC(C)CC3C2CNC(=O)c2c(C)nc3sccn23)c(-c2ccc(C)c(C)c2)s1
SMILES: Cc1nc(C(=O)N2CC3CC(C)CC3C2CNC(=O)c2c(C)nc3sccn23)c(-c2ccc(C)c(C)c2)s1

Molecular Processing

Molecular formula
C29H33N5O2S2
Molecular weight
547.75
Exact mass
547.2076
XLogP
5.67
TPSA
79.6
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
38
Rings
6
Aromatic rings
4
Saturated rings
2
Aliphatic rings
2
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.448
Molar refractivity
152.1

Supplementary Information

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