C1C(C(CN1CC2=CC=CC=C2)C3=CC(=CS3)Br)CO
Nom: [1-benzyl-4-(4-bromothiophen-2-yl)pyrrolidin-3-yl]methanol
SMILES: C1C(C(CN1CC2=CC=CC=C2)C3=CC(=CS3)Br)CO

Molecular Processing

Molecular formula
C16H18BrNOS
Molecular weight
352.3
Exact mass
351.0292
XLogP
3.72
TPSA
23.47
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
20
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
87.05

Supplementary Information

InChIKey: HTAUHNYOQRUZJA-UHFFFAOYSA-N
Synonymes
SCHEMBL2205883HTAUHNYOQRUZJA-UHFFFAOYSA-N[1-benzyl-4-(4-bromo-thiophen-2-yl)-pyrrolidin-3-yl]-methanol
Voir la source →
Impliqué dans 2 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→