Nombre: Pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester 2-[2-(3a,6a-dihydro-thieno[3,2-b]thiophen-2-yl)-2-oxo-ethyl]ester
SMILES:
CC(C)(C)OC(=O)N1CCCC1C(=O)OCC(=O)C1=CC2SC=CC2S1Molecular Processing
Molecular formula
C18H23NO5S2
Molecular weight
397.52
Exact mass
397.1018
XLogP
3.13
TPSA
72.91
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
26
Rings
3
Aromatic rings
0
Saturated rings
1
Aliphatic rings
3
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.611
Molar refractivity
101.91
Supplementary Information
Obteniendo detalles…
Participa en 13 reacciones→