CC1(CI)CN(Cc2ccccc2)C(C(=O)OCc2ccccc2)CO1
Nom: benzyl 4-benzyl-6-(iodomethyl)-6-methylmorpholine-3-carboxylate
SMILES: CC1(CI)CN(Cc2ccccc2)C(C(=O)OCc2ccccc2)CO1

Molecular Processing

Molecular formula
C21H24INO3
Molecular weight
465.33
Exact mass
465.0801
XLogP
3.82
TPSA
38.77
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
26
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.381
Molar refractivity
110.12

Supplementary Information

InChIKey: PETWURBQGVEHKF-UHFFFAOYSA-N
Synonymes
SCHEMBL1802548PETWURBQGVEHKF-UHFFFAOYSA-N4-benzyl-6-iodomethyl-6-methyl-morpholine-3-carboxylic acid benzyl ester
Voir la source →
Impliqué dans 5 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→