Basic information
- Standard SMILES
COC(=O)C(N)Cc1ccc(-c2c(OC)cnn(C)c2=O)cc1- InChIKey
PNFJKDUEWPDKMS-UHFFFAOYSA-N- Molecular formula
- C16H19N3O4
- Average molar mass
- 317.34 g/mol
- Monoisotopic mass
- 317.1375561
Names & identifiers
- Preferred name
- 2-Amino-3-[4-(5-methoxy-2-methyl-3-oxo-2,3-dihydro-pyridazin-4-yl)-phenyl]-propionic acid methyl ester
- IUPAC
- methyl 2-amino-3-[4-(5-methoxy-2-methyl-3-oxopyridazin-4-yl)phenyl]propanoate
Names & synonyms
SCHEMBL4522314PNFJKDUEWPDKMS-UHFFFAOYSA-N2-Amino-3-[4-(5-methoxy-2-methyl-3-oxo-2,3-dihydro-pyridazin-4-yl)-phenyl]-propionic acid methyl ester
Database identifiers
- PubChem CID
- 69077803
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 94.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 521
Related reactions
2 records
Compound notes
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