Name: 2-[2-(2-thienylcarbonyl)-1H-pyrrol-1-yl]-1H-isoindole-1,3(2H)dione
SMILES:
O=C(c1cccs1)c1cccn1N1C(=O)c2ccccc2C1=OMolecular Processing
Molecular formula
C17H10N2O3S
Molecular weight
322.35
Exact mass
322.0412
XLogP
2.71
TPSA
59.38
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
23
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0
Molar refractivity
85.5
Supplementary Information
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