Basic information
- Standard SMILES
CCCc1cc(Cn2c(CC)nc3c(C)cc(C)nc32)cc(CCC)c1OC(C(=O)NS(=O)(=O)C(C)C)c1ccc2c(c1)OCO2- InChIKey
WSUPDCMKPUAGDA-UHFFFAOYSA-N- Molecular formula
- C35H44N4O6S
- Average molar mass
- 648.8 g/mol
Names & identifiers
- Preferred name
- 3-[4-(1-(isopropylsulfonylaminocarbonyl)-1-(3,4-methylenedioxyphenyl)methoxy)-3,5-dipropylphenyl-methyl]-5,7-dimethyl-2-ethyl-3H-imidazo[4,5-b]pyridine
- IUPAC
- 2-(1,3-benzodioxol-5-yl)-2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2,6-dipropylphenoxy]-N-propan-2-ylsulfonylacetamide
Names & synonyms
CHEMBL16018SCHEMBL9396276WSUPDCMKPUAGDA-UHFFFAOYSA-NBDBM502844673-[4-(1-(isopropylsulfonylaminocarbonyl)-1-(3,4-methylenedioxyphenyl)methoxy)-3,5-dipropylphenyl-methyl]-5,7-dimethyl-2-ethyl-3H-imidazo[4,5-b]pyridinePropane-2-sulfonic acid {2-benzo[1,3]dioxol-5-yl-2-[4-(2-ethyl-5,7-dimethyl-imidazo[4,5-b]pyridin-3-ylmethyl)-2,6-dipropyl-phenoxy]-acetyl}-amide
Database identifiers
- PubChem CID
- 19010490
- ChEMBL
CHEMBL16018
Properties
Computed structural properties
- XLogP
- 7.8
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 13
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 1,090
Related reactions
2 records
Compound notes
Loading…