3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-diazinane-2,4-dione
Basic information
- CAS
89003-40-7- Standard SMILES
O=C1CCNC(=O)N1CN1CCc2ccccc2C1- InChIKey
YDBQGQOPFXGYCA-UHFFFAOYSA-N- Molecular formula
- C14H17N3O2
- Average molar mass
- 259.3 g/mol
- Monoisotopic mass
- 259.13207679
Names & identifiers
- Preferred name
- 3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-diazinane-2,4-dione
- IUPAC
- 3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-diazinane-2,4-dione
Names & synonyms
89003-40-7NSC3657533-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-diazinane-2,4-dioneDTXSID00320871NSC-3657533-[(3,4-Dihydroisoquinolin-2(1H)-yl)methyl]-1,3-diazinane-2,4-dione
Database identifiers
- CAS
89003-40-7- PubChem CID
- 339377
- DTXSID
DTXSID00320871
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 52.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 372
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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