Name: 5-[3-ethoxycarbonyl-2-[2-(4-fluorophenyl)ethyl]-5-oxo-7,8,9,9a-tetrahydropyrido[2,3-a]pyrrolizin-4-yl]furan-3-carboxylic acid
SMILES:
CCOC(=O)C1=C(N=C2C3CCCN3C(=O)C2=C1C4=CC(=CO4)C(=O)O)CCC5=CC=C(C=C5)FMolecular Processing
Molecular formula
C26H23FN2O6
Molecular weight
478.48
Exact mass
478.154
XLogP
4.43
TPSA
109.94
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
35
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.308
Molar refractivity
121.67
Supplementary Information
InChIKey: AGFKYJGKUGRTJZ-UHFFFAOYSA-N
View source →Involved in 1 reactions→