O=C(CCS(=O)Cc1ccco1)NNC(=O)N1Cc2ccccc2Oc2ccc(Cl)cc21
SMILES: O=C(CCS(=O)Cc1ccco1)NNC(=O)N1Cc2ccccc2Oc2ccc(Cl)cc21

Molecular Processing

Molecular formula
C22H20ClN3O5S
Molecular weight
473.94
Exact mass
473.0812
XLogP
4.13
TPSA
100.88
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
32
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.182
Molar refractivity
120.86

Supplementary Information

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