Basic information
- Standard SMILES
COC(=O)C(OC(C)(C)C)c1c(-c2ccc(C)cc2)c2ccn(Cc3ccc(S(C)(=O)=O)cc3)c2c(=O)n1C- InChIKey
WJKMNBTVTDRSQD-UHFFFAOYSA-N- Molecular formula
- C30H34N2O6S
- Average molar mass
- 550.7 g/mol
- Monoisotopic mass
- 550.21375798
Names & identifiers
- Preferred name
- methyl 2-(tert-butoxy)-2-(6-methyl-1-(4-(methylsulfonyl)benzyl)-7-oxo-4-(p-tolyl)-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-5-yl)acetate
- IUPAC
- methyl 2-[6-methyl-4-(4-methylphenyl)-1-[(4-methylsulfonylphenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetate
Names & synonyms
SCHEMBL14810785WJKMNBTVTDRSQD-UHFFFAOYSA-Nmethyl 2-(tert-butoxy)-2-(6-methyl-1-(4-(methylsulfonyl)benzyl)-7-oxo-4-(p-tolyl)-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-5-yl)acetate
Database identifiers
- PubChem CID
- 89463522
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 1,040
Related reactions
2 records
Compound notes
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