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Basic information
- Standard SMILES
COC(=O)c1c(NC(=O)C(C)(C)C)ccc2c1OCc1nnccc1-2- InChIKey
DUVLWGRLHOGYKD-UHFFFAOYSA-N- Molecular formula
- C18H19N3O4
- Average molar mass
- 341.4 g/mol
Names & identifiers
- Preferred name
- methyl 7-(2,2-dimethylpropionylamino)-10H-9-oxa-1,2-diazaphenanthrene-8-carboxylate
- IUPAC
- methyl 8-(2,2-dimethylpropanoylamino)-5H-chromeno[3,4-c]pyridazine-7-carboxylate
Names & synonyms
SCHEMBL15130177DUVLWGRLHOGYKD-UHFFFAOYSA-Nmethyl 7-(2,2-dimethylpropionylamino)-10H-9-oxa-1,2-diazaphenanthrene-8-carboxylate
Database identifiers
- PubChem CID
- 89705397
Properties
Computed structural propertiesFilling in
- XLogP
- 2
- Topological polar surface area
- 90.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 519
Related reactions
2 records
Compound notes
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