methyl 2-hydroxy-2-(1-(4-methoxybenzyl)-6-methyl-7-oxo-4-(p-tolyl)-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-5-yl)acetate
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
COC(=O)C(O)c1c(-c2ccc(C)cc2)c2ccn(Cc3ccc(OC)cc3)c2c(=O)n1C- InChIKey
UIUBGYTWNYGRQO-UHFFFAOYSA-N- Molecular formula
- C26H26N2O5
- Average molar mass
- 446.5 g/mol
- Monoisotopic mass
- 446.18417193
Names & identifiers
- Preferred name
- methyl 2-hydroxy-2-(1-(4-methoxybenzyl)-6-methyl-7-oxo-4-(p-tolyl)-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-5-yl)acetate
- IUPAC
- methyl 2-hydroxy-2-[1-[(4-methoxyphenyl)methyl]-6-methyl-4-(4-methylphenyl)-7-oxopyrrolo[2,3-c]pyridin-5-yl]acetate
Names & synonyms
SCHEMBL14810236UIUBGYTWNYGRQO-UHFFFAOYSA-Nmethyl 2-hydroxy-2-(1-(4-methoxybenzyl)-6-methyl-7-oxo-4-(p-tolyl)-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-5-yl)acetate
Database identifiers
- PubChem CID
- 89463201
Properties
Computed structural propertiesFilling in
- XLogP
- 2.9
- Topological polar surface area
- 81 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 752
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
1 records
Compound notes
Loading…