CC(c1ccc(-c2ncc(C(=O)NC3CC3)s2)cc1)N1CCC(CC(C)(C)C#N)(c2ccccc2)OC1=O
SMILES: CC(c1ccc(-c2ncc(C(=O)NC3CC3)s2)cc1)N1CCC(CC(C)(C)C#N)(c2ccccc2)OC1=O

Molecular Processing

Molecular formula
C30H32N4O3S
Molecular weight
528.68
Exact mass
528.2195
XLogP
6.44
TPSA
95.32
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
38
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
146.39

Supplementary Information

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