Basic information
- CAS
69405-19-2- Standard SMILES
CCOc1ccc(N2CC(=O)N3CCCCN3C(=O)C2)cc1- InChIKey
WMLTZALCDCHHQC-UHFFFAOYSA-N- Molecular formula
- C16H21N3O3
- Average molar mass
- 303.36 g/mol
- Monoisotopic mass
- 303.15829154
Names & identifiers
- Preferred name
- 1H-Pyridazino(1,2-a)(1,2,5)triazepine-1,5(2H)-dione, hexahydro-3-(4-ethoxyphenyl)-
- IUPAC
- 3-(4-ethoxyphenyl)-2,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,5]triazepine-1,5-dione
Names & synonyms
69405-19-2NSC 337243BRN 06950041H-Pyridazino(1,2-a)(1,2,5)triazepine-1,5(2H)-dione, hexahydro-3-(4-ethoxyphenyl)-DTXSID802195373-(4-Ethoxyphenyl)-hexahydro-1H-pyridazino(1,2-a)(1,2,5)triazepine-1,5(2H)-dioneHexahydro-3-(4-ethoxyphenyl)-1H-pyridazino(1,2-a)(1,2,5)triazepine-1,5(2H)-dioneRefChem:240121DTXCID301420283-(4-Ethoxyphenyl)hexahydro-1H-pyridazino[1,2-a][1,2,5]triazepine-1,5(2H)-dioneNSC3372433-(4-ethoxyphenyl)-2,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,5]triazepine-1,5-dione
Show more names
NSC-337243
Database identifiers
- CAS
69405-19-2- PubChem CID
- 72804
- DTXSID
DTXSID80219537
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 53.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 395
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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