Basic information
- CAS
81215-73-8- Standard SMILES
COCCCN1CC(=O)N2Cc3ccccc3CN2C(=O)C1- InChIKey
BNFBKSOAJOKZBT-UHFFFAOYSA-N- Molecular formula
- C16H21N3O3
- Average molar mass
- 303.36 g/mol
- Monoisotopic mass
- 303.15829154
Names & identifiers
- Preferred name
- 3-(3-Methoxypropyl)-3,4,7,12-tetrahydro-1H-(1,2,5)triazepino(1,2-b)phthalazine-1,5(2H)-dione
- IUPAC
- 3-(3-methoxypropyl)-2,4,7,12-tetrahydro-[1,2,5]triazepino[1,2-b]phthalazine-1,5-dione
Names & synonyms
81215-73-8AES16YJ8AM3-(3-Methoxypropyl)-3,4,7,12-tetrahydro-1H-(1,2,5)triazepino(1,2-b)phthalazine-1,5(2H)-dioneUNII-AES16YJ8AMNSC340349NSC 340349NSC-3403493-(3-Methoxypropyl)-3,4,7,12-tetrahydro-1H-[1,2,5]triazepino[1,2-b]phthalazine-1,5(2H)-dione3-(3-methoxypropyl)-2,4,7,12-tetrahydro-[1,2,5]triazepino[1,2-b]phthalazine-1,5-dioneDTXSID502309511H-(1,2,5)TRIAZEPINO(1,2-B)PHTHALAZINE-1,5(2H)-DIONE, 3,4,7,12-TETRAHYDRO-3-(3-METHOXYPROPYL)-
Database identifiers
- CAS
81215-73-8- PubChem CID
- 334644
- DTXSID
DTXSID50230951- UNII
- AES16YJ8AM
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 53.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- 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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