N[C@@H](Cc1ccccc1)C(=O)N1CCc2c(-c3n[nH]c(=S)o3)cc(-c3ccncc3)cc21
SMILES: N[C@@H](Cc1ccccc1)C(=O)N1CCc2c(-c3n[nH]c(=S)o3)cc(-c3ccncc3)cc21

Molecular Processing

Molecular formula
C24H21N5O2S
Molecular weight
443.53
Exact mass
443.1416
XLogP
3.92
TPSA
101.04
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
32
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
124.53

Supplementary Information

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