Basic information
- CAS
333745-78-1- Standard SMILES
COc1ccc(Cl)cc1NC(=O)c1ccc(C2SCC(=O)N2Cc2ccccc2)cc1- InChIKey
CVWZJBCGMABFKS-UHFFFAOYSA-N- Molecular formula
- C24H21ClN2O3S
- Average molar mass
- 453 g/mol
Names & identifiers
- Preferred name
- 4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-(5-chloro-2-methoxyphenyl)benzamide
- IUPAC
- 4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-(5-chloro-2-methoxyphenyl)benzamide
- English name
- 4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-(5-chloro-2-methoxyphenyl)benzamide
- Molecular formula
- C24H21ClN2O3S
- Molecular weight
- 452.95
Names & synonyms
4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-(5-chloro-2-methoxyphenyl)benzamideOprea1_412853Oprea1_535871STL123311AKOS000386262AKOS025262587AH-487/15275117Benzamide, N-(5-chloro-2-methoxyphenyl)-4-[4-oxo-3-(phenylmethyl)-2-thiazolidinyl]-
Database identifiers
- CAS
333745-78-1
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 83.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 622
Physicochemical properties
- Boiling point
- 612.8 · 612.8±55.0 °C(Predicted)
- Density
- 1.359 · 1.359±0.06 g/cm3(Predicted)
- pka
- 11.99 · 11.99±0.70(Predicted)
Chemistry & industry
Suppliers2 total
SPECS[email protected]
VITAS-BB—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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