Nombre: tert-butyl 2-[[4-[3-(4-bromophenyl)prop-2-ynoxy]phenoxy]methyl]pyrrolidine-1-carboxylate
SMILES:
CC(C)(C)OC(=O)N1CCCC1COC2=CC=C(C=C2)OCC#CC3=CC=C(C=C3)BrMolecular Processing
Molecular formula
C25H28BrNO4
Molecular weight
486.41
Exact mass
485.1202
XLogP
5.66
TPSA
48
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
31
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
124.41
Supplementary Information
InChIKey: FRHUNTRFJZSASN-UHFFFAOYSA-N
Sinónimos
SCHEMBL2889430FRHUNTRFJZSASN-UHFFFAOYSA-N2-{4-[3-(4-Bromo-phenyl)-prop-2-ynyloxy]-phenoxymethyl}-pyrrolidine-1-carboxylic acid tert-butyl ester
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