Nom: 4-[3-(1-methyl-2-pyrrolyl)-2-propenoyl)benzaldehyde diethyl acetal
SMILES:
CCOC(OCC)c1ccc(C(=O)C=Cc2cccn2C)cc1Molecular Processing
Molecular formula
C19H23NO3
Molecular weight
313.4
Exact mass
313.1678
XLogP
3.99
TPSA
40.46
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
8
Heavy atoms
23
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
0.316
Molar refractivity
91.21
Supplementary Information
Récupération des détails…
Impliqué dans 2 réactions→