CC1(C)Cc2cc(C(=O)O)ccc2NC1c1cccc(C(=O)NS(C)(=O)=O)c1
SMILES: CC1(C)Cc2cc(C(=O)O)ccc2NC1c1cccc(C(=O)NS(C)(=O)=O)c1

Molecular Processing

Molecular formula
C20H22N2O5S
Molecular weight
402.47
Exact mass
402.1249
XLogP
2.81
TPSA
112.57
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
28
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
106

Supplementary Information

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