4,7-Benzothiazoledione, 6-[(2,4-difluorophenyl)amino]-2,5-dimethyl-
Basic information
- CAS
650635-84-0- Standard SMILES
CC1=C(Nc2ccc(F)cc2F)C(=O)c2sc(C)nc2C1=O- InChIKey
VBEHCKKXBBLTNH-UHFFFAOYSA-N- Molecular formula
- C15H10F2N2O2S
- Average molar mass
- 320.3 g/mol
- Monoisotopic mass
- 320.04310506
Names & identifiers
- Preferred name
- 4,7-Benzothiazoledione, 6-[(2,4-difluorophenyl)amino]-2,5-dimethyl-
- IUPAC
- 6-(2,4-difluoroanilino)-2,5-dimethyl-1,3-benzothiazole-4,7-dione
Names & synonyms
650635-84-06-(2,4-difluoroanilino)-2,5-dimethyl-1,3-benzothiazole-4,7-dione4,7-Benzothiazoledione, 6-[(2,4-difluorophenyl)amino]-2,5-dimethyl-DTXSID403335466-[N-(2,4-Difluorophenyl)amino]-2,5-dimethyl-4,7-dioxobenzothiazole
Database identifiers
- CAS
650635-84-0- PubChem CID
- 511635
- DTXSID
DTXSID40333546
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 87.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 540
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Compound notes
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