CN(C(=O)c1cc2c(s1)-c1ccc(NC(=O)CO)cc1OCC2)c1ccccc1Cl
SMILES: CN(C(=O)c1cc2c(s1)-c1ccc(NC(=O)CO)cc1OCC2)c1ccccc1Cl

Molecular Processing

Molecular formula
C22H19ClN2O4S
Molecular weight
442.92
Exact mass
442.0754
XLogP
4.21
TPSA
78.87
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
30
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.182
Molar refractivity
118.85

Supplementary Information

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