10a-(4-methoxyphenyl)-1-[(3-methyl-1,2-oxazol-4-yl)carbonyl]-7-nitro-2,3,10,10a-tetrahydro-1H,5H-imidazo[1,2-a]pyrrolo[1,2-d]pyrazin-5-one
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
COc1ccc(C23Cn4cc([N+](=O)[O-])cc4C(=O)N2CCN3C(=O)c2conc2C)cc1- InChIKey
AAVTYIJVQUIDEI-UHFFFAOYSA-N- Molecular formula
- C21H19N5O6
- Average molar mass
- 437.4 g/mol
Names & identifiers
- Preferred name
- 10a-(4-methoxyphenyl)-1-[(3-methyl-1,2-oxazol-4-yl)carbonyl]-7-nitro-2,3,10,10a-tetrahydro-1H,5H-imidazo[1,2-a]pyrrolo[1,2-d]pyrazin-5-one
- IUPAC
- 3-(4-methoxyphenyl)-4-(3-methyl-1,2-oxazole-4-carbonyl)-11-nitro-1,4,7-triazatricyclo[7.3.0.03,7]dodeca-9,11-dien-8-one
Names & synonyms
SCHEMBL2335403AAVTYIJVQUIDEI-UHFFFAOYSA-N10a-(4-methoxyphenyl)-1-[(3-methyl-1,2-oxazol-4-yl)carbonyl]-7-nitro-2,3,10,10a-tetrahydro-1H,5H-imidazo[1,2-a]pyrrolo[1,2-d]pyrazin-5-one
Database identifiers
- PubChem CID
- 53373441
Properties
Computed structural propertiesFilling in
- XLogP
- 1.2
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 783
Related reactions
5 records
Compound notes
Loading…