Basic information
- Standard SMILES
COC(=O)C(O)c1c(C)nc2c(c1-c1ccc(C)cc1)CN(C(=O)OCc1ccccc1)CC2- InChIKey
GLKXNBSZFQWIRV-UHFFFAOYSA-N- Molecular formula
- C27H28N2O5
- Average molar mass
- 460.5 g/mol
Names & identifiers
- Preferred name
- benzyl 3-(1-hydroxy-2-methoxy-2-oxoethyl)-2-methyl-4-(p-tolyl)-7,8-dihydro-1,6-naphthyridine-6(5H)-carboxylate
- IUPAC
- benzyl 3-(1-hydroxy-2-methoxy-2-oxoethyl)-2-methyl-4-(4-methylphenyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate
Names & synonyms
SCHEMBL15169112GLKXNBSZFQWIRV-UHFFFAOYSA-Nbenzyl 3-(1-hydroxy-2-methoxy-2-oxoethyl)-2-methyl-4-(p-tolyl)-7,8-dihydro-1,6-naphthyridine-6(5H)-carboxylate
Database identifiers
- PubChem CID
- 86692201
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 89 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 689
Related reactions
2 records
Compound notes
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