CC(C)(C)OC(=O)N1CCCC2=C1C=CC(=C2)OCCCCCCBr
Nom: tert-butyl 6-(6-bromohexoxy)-3,4-dihydro-2H-quinoline-1-carboxylate
SMILES: CC(C)(C)OC(=O)N1CCCC2=C1C=CC(=C2)OCCCCCCBr

Molecular Processing

Molecular formula
C20H30BrNO3
Molecular weight
412.37
Exact mass
411.1409
XLogP
5.71
TPSA
38.77
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
7
Heavy atoms
25
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.65
Molar refractivity
106.1

Supplementary Information

InChIKey: LBHFNAXQQKWHHB-UHFFFAOYSA-N
Synonymes
SCHEMBL5637990LBHFNAXQQKWHHB-UHFFFAOYSA-N6-(6-Bromo-hexyloxy)-3,4-dihydro-2H-quinoline-1-carboxylic acid tert-butyl ester
Voir la source →
Impliqué dans 6 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→