4-(2-bromopyridin-3-yl)-4,5-dihydroimidazo[1,5,4-de][1,4]benzoxazin-2(1H)-one
Basic information
- Standard SMILES
O=c1[nH]c2cccc3c2n1C(c1cccnc1Br)CO3- InChIKey
JBGXBPZAIXKIHZ-UHFFFAOYSA-N- Molecular formula
- C14H10BrN3O2
- Average molar mass
- 332.15 g/mol
Names & identifiers
- Preferred name
- 4-(2-bromopyridin-3-yl)-4,5-dihydroimidazo[1,5,4-de][1,4]benzoxazin-2(1H)-one
- IUPAC
- 11-(2-bromo-3-pyridinyl)-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-2-one
Names & synonyms
SCHEMBL16036456SCHEMBL29938930JBGXBPZAIXKIHZ-UHFFFAOYSA-N4-(2-bromopyridin-3-yl)-4,5-dihydroimidazo[1,5,4-de][1,4]benzoxazin-2(1H)-one
Database identifiers
- PubChem CID
- 90409352
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 54.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 408
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Related reactions
1 records
Compound notes
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