CCOC(=O)C1=C(C2=C(C=CC=C2O1)C#CCN(C)C)C
Nom: ethyl 4-[3-(dimethylamino)prop-1-ynyl]-3-methyl-1-benzofuran-2-carboxylate
SMILES: CCOC(=O)C1=C(C2=C(C=CC=C2O1)C#CCN(C)C)C

Molecular Processing

Molecular formula
C17H19NO3
Molecular weight
285.34
Exact mass
285.1365
XLogP
2.83
TPSA
42.68
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
21
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.353
Molar refractivity
82.34

Supplementary Information

InChIKey: IGDAQIJMZVAOAM-UHFFFAOYSA-N
Synonymes
SCHEMBL3608504IGDAQIJMZVAOAM-UHFFFAOYSA-N4-(3-dimethylamino-prop-1-ynyl)-3-methyl-benzofuran-2-carboxylic acid ethyl ester
Voir la source →
Impliqué dans 1 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→