Basic information
- Standard SMILES
CCC(Br)c1nc2onc(C)c2c(=O)n1Cc1ccccc1- InChIKey
ANUNTDIVDISQGR-UHFFFAOYSA-N- Molecular formula
- C16H16BrN3O2
- Average molar mass
- 362.22 g/mol
Names & identifiers
- Preferred name
- 5-Benzyl-6-(1-bromo-propyl)-3-methyl-5h-isoxazolo[5,4-d]pyrimidin-4-one
- IUPAC
- 5-benzyl-6-(1-bromopropyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one
Names & synonyms
5-benzyl-6-(1-bromo-propyl)-3-methyl-5h-isoxazolo[5,4-d]pyrimidin-4-oneSCHEMBL3875862ANUNTDIVDISQGR-UHFFFAOYSA-N758721-92-5DB-317159(+/-)-5-benzyl-6-(1-bromo-propyl)-3-methyl-5h-isoxazolo[5,4-d]pyrimidin-4-one
Database identifiers
- PubChem CID
- 22222344
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 58.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 451
Related reactions
5 records
Linked notes
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