CCOC(=O)C1NCCc2oc3c(Cl)cc(S(=O)(=O)c4ccccc4)cc3c21
Name: product
SMILES: CCOC(=O)C1NCCc2oc3c(Cl)cc(S(=O)(=O)c4ccccc4)cc3c21

Molecular Processing

Molecular formula
C20H18ClNO5S
Molecular weight
419.89
Exact mass
419.0594
XLogP
3.67
TPSA
85.61
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
28
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
104.2

Supplementary Information

Details werden geladen…

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