CC1(OC(=O)C(C(=O)O1)CCN2C=CC=C2C(=O)C3=CC=CC=C3)C
Nombre: 5-[2-(2-benzoylpyrrol-1-yl)ethyl]-2,2-dimethyl-1,3-dioxane-4,6-dione
SMILES: CC1(OC(=O)C(C(=O)O1)CCN2C=CC=C2C(=O)C3=CC=CC=C3)C

Molecular Processing

Molecular formula
C19H19NO5
Molecular weight
341.36
Exact mass
341.1263
XLogP
2.56
TPSA
74.6
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
25
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.316
Molar refractivity
88.68

Supplementary Information

InChIKey: HNQZPTZKERAGSU-UHFFFAOYSA-N
Sinónimos
SCHEMBL8812100HNQZPTZKERAGSU-UHFFFAOYSA-N1-[2-(4,6-dioxo-2,2-dimethyl-1,3-dioxan-5-yl)ethyl]-2-(benzoyl)pyrrole2-benzoyl-1-[2-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yl)ethyl]pyrrole
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