9-Ethyl-6-fluoro-8-difluoromethoxy-7-[4-(2-pyrimidinyl)piperazin-1-yl]-2,3,4,9-tetrahydroisothiazolo-[5,4-b]quinolin-3,4-dione
Basic information
- Standard SMILES
CCn1c2s[nH]c(=O)c2c(=O)c2cc(F)c(N3CCN(c4ncccn4)CC3)c(OC(F)F)c21- InChIKey
UUYTUGDFXZOEBT-UHFFFAOYSA-N- Molecular formula
- C21H19F3N6O3S
- Average molar mass
- 492.5 g/mol
- Monoisotopic mass
- 492.11914415
Names & identifiers
- Preferred name
- 9-Ethyl-6-fluoro-8-difluoromethoxy-7-[4-(2-pyrimidinyl)piperazin-1-yl]-2,3,4,9-tetrahydroisothiazolo-[5,4-b]quinolin-3,4-dione
- IUPAC
- 8-(difluoromethoxy)-9-ethyl-6-fluoro-7-(4-pyrimidin-2-ylpiperazin-1-yl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
Names & synonyms
9-ethyl-6-fluoro-8-difluoromethoxy-7-[4-(2-pyrimidinyl)piperazin-1-yl]-2,3,4,9-tetrahydroisothiazolo-[5,4-b]quinolin-3,4-dioneSCHEMBL8733968
Database identifiers
- PubChem CID
- 21473353
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 5
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 837
Related reactions
1 records
Compound notes
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