CCSc1nc2c(C)sc(C(=O)OC)c2n1Cc1ccc(-c2ccccc2C#N)cc1
SMILES: CCSc1nc2c(C)sc(C(=O)OC)c2n1Cc1ccc(-c2ccccc2C#N)cc1

Molecular Processing

Molecular formula
C24H21N3O2S2
Molecular weight
447.59
Exact mass
447.1075
XLogP
5.89
TPSA
67.91
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
31
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.208
Molar refractivity
125.78

Supplementary Information

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