9-{[2-Bromo-4-(trifluoromethyl)phenyl]sulfonyl}-2-methyl-8,9,10,10a-tetrahydropyrido[2',3':3,4]pyrrolo[1,2-a]pyrazin-5(7H)-one
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
Cc1ccc2c(n1)C1CN(S(=O)(=O)c3ccc(C(F)(F)F)cc3Br)CCN1C2=O- InChIKey
WFMSMCYZJOSXBB-UHFFFAOYSA-N- Molecular formula
- C18H15BrF3N3O3S
- Average molar mass
- 490.3 g/mol
Names & identifiers
- Preferred name
- 9-{[2-Bromo-4-(trifluoromethyl)phenyl]sulfonyl}-2-methyl-8,9,10,10a-tetrahydropyrido[2',3':3,4]pyrrolo[1,2-a]pyrazin-5(7H)-one
- IUPAC
- 12-[2-bromo-4-(trifluoromethyl)phenyl]sulfonyl-4-methyl-3,9,12-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5-trien-8-one
Names & synonyms
9-{[2-Bromo-4-(trifluoromethyl)phenyl]sulfonyl}-2-methyl-8,9,10,10a-tetrahydropyrido[2',3':3,4]pyrrolo[1,2-a]pyrazin-5(7H)-oneSCHEMBL11953524
Database identifiers
- PubChem CID
- 68175437
Properties
Computed structural propertiesFilling in
- XLogP
- 2.5
- Topological polar surface area
- 79 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 760
Related reactions
1 records
Compound notes
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