S9947
Basic information
- CAS
332378-43-5- Standard SMILES
O=C(NCc1ccccc1-c1ccccc1C(=O)NCCc1ccccn1)OCc1ccccc1- InChIKey
FLOLVFLAXFXKBU-UHFFFAOYSA-N- Molecular formula
- C29H27N3O3
- Average molar mass
- 465.5 g/mol
- Monoisotopic mass
- 465.20524173
Overview
S9947 is a member of biphenyls.
Names & identifiers
- Preferred name
- S9947
- IUPAC
- benzyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate
- English name
- S 9947
- Molecular formula
- C29H27N3O3
- Molecular weight
- 465.54
Names & synonyms
S9947S-9947benzyl N-[[2-[2-[2-(2-pyridyl)ethylcarbamoyl]phenyl]phenyl]methyl]carbamatephenylmethyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamatebenzyl N-((2-(2-(2-(2-pyridyl)ethylcarbamoyl)phenyl)phenyl)methyl)carbamatephenylmethyl N-((2-(2-(2-pyridin-2-ylethylcarbamoyl)phenyl)phenyl)methyl)carbamateRefChem:180737332378-43-5S 9947benzyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamateCHEMBL1481592'-(Benzyloxycarbonylaminomethyl)biphenyl-2-carboxylic acid 2-(2-pyridyl)ethylamide
Show more names
Carbamic acid, N-[[2'-[[[2-(2-pyridinyl)ethyl]amino]carbonyl][1,1'-biphenyl]-2-yl]methyl]-, phenylmethyl ester
AC1LCVHNSureCN498662SCHEMBL498662GTPL2562orb1740052CHEBI:34965CHEBI:342860FLOLVFLAXFXKBU-UHFFFAOYSA-N
Database identifiers
- CAS
332378-43-5- PubChem CID
- 656730
- ChEMBL
CHEMBL148159- ChEBI
CHEBI:34965- Nikkaji
- J1.677.522C
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 80.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 651
Physicochemical properties
- Boiling point
- 723.2 · 723.2±60.0 °C(Predicted)
- Density
- 1.2 · 1.200±0.06 g/cm3(Predicted)
- pka
- 11.89 · 11.89±0.46(Predicted)
Chemistry & industry
Applications
DescriptionS9947 is a Kv1.5/IKur channel blocker, suppressing both cloned (Kv1.5) and native (IKur) cardiac potassium current.
Additional notes
DefinitionChEBI: S9947 is a member of biphenyls.
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
2 records
Compound notes
Loading…