CCOC(=O)C(C(=O)NC1(OC)C(=O)N2C(C(=O)O)=C(C)CSC21)n1cccc1
SMILES: CCOC(=O)C(C(=O)NC1(OC)C(=O)N2C(C(=O)O)=C(C)CSC21)n1cccc1

Molecular Processing

Molecular formula
C18H21N3O7S
Molecular weight
423.45
Exact mass
423.11
XLogP
0.32
TPSA
127.17
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
29
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.444
Molar refractivity
101.41

Supplementary Information

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