Basic information
- CAS
353507-09-2- Standard SMILES
Cc1cccc(C)c1NC(=O)C(C)(C)NC(=O)c1cccc(N2C(=O)CSC2c2ccccc2)c1- InChIKey
KVEAYIOTWRAQSN-UHFFFAOYSA-N- Molecular formula
- C28H29N3O3S
- Average molar mass
- 487.6 g/mol
- Monoisotopic mass
- 487.19296297
Names & identifiers
- Preferred name
- N-{1-[(2,6-dimethylphenyl)amino]-2-methyl-1-oxopropan-2-yl}-3-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)benzamide
- IUPAC
- N-[1-(2,6-dimethylanilino)-2-methyl-1-oxopropan-2-yl]-3-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)benzamide
- English name
- Benzamide, N-[2-[(2,6-dimethylphenyl)amino]-1,1-dimethyl-2-oxoethyl]-3-(4-oxo-2-phenyl-3-thiazolidinyl)- (9CI)
- Molecular formula
- C28H29N3O3S
- Molecular weight
- 487.61
Names & synonyms
353507-09-2STK062694Benzamide,N-[2-[(2,6-dimethylphenyl)amino]-1,1-dimethyl-2-oxoethyl]-3-(4-oxo-2-phenyl-3-thiazolidinyl)-N-{1-[(2,6-dimethylphenyl)amino]-2-methyl-1-oxopropan-2-yl}-3-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)benzamideAN-512/13502012DTXSID60398374AKOS005388359N-[1-(2,6-dimethylanilino)-2-methyl-1-oxopropan-2-yl]-3-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)benzamideN-[2-(2,6-dimethylanilino)-1,1-dimethyl-2-oxoethyl]-3-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)benzamideBenzamide, N-[2-[(2,6-dimethylphenyl)amino]-1,1-dimethyl-2-oxoethyl]-3-(4-oxo-2-phenyl-3-thiazolidinyl)-Benzamide, N-[2-[(2,6-dimethylphenyl)amino]-1,1-dimethyl-2-oxoethyl]-3-(4-oxo-2-phenyl-3-thiazolidinyl)- (9CI)
Database identifiers
- CAS
353507-09-2- PubChem CID
- 3982007
- DTXSID
DTXSID60398374
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 771
Physicochemical properties
- Boiling point
- 769.2 · 769.2±60.0 °C(Predicted)
- Density
- 1.258 · 1.258±0.06 g/cm3(Predicted)
- pka
- 12.72 · 12.72±0.46(Predicted)
Chemistry & industry
Suppliers2 total
CHEMSTEP[email protected]
VITAS-BB—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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