Basic information
- CAS
543730-36-5- Standard SMILES
CON(Cc1ccc(F)cc1)C(=O)/C=C1\OC(C)(C)OC1=O- InChIKey
JLUPGSPHOGFEOB-UHFFFAOYSA-N- Molecular formula
- C15H16FNO5
- Average molar mass
- 309.29 g/mol
- Monoisotopic mass
- 309.10125077
Names & identifiers
- Preferred name
- Acetamide, 2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-ylidene)-N-((4-fluorophenyl)methyl)-N-methoxy-
- IUPAC
- (2Z)-2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-ylidene)-N-[(4-fluorophenyl)methyl]-N-methoxyacetamide
- English name
- BMS-538158
- Molecular formula
- C15H16FNO5
- Molecular weight
- 309.29
Names & synonyms
BMS-538158543730-36-5Acetamide, 2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-ylidene)-N-((4-fluorophenyl)methyl)-N-methoxy-UNII-12FDL11K9B12FDL11K9B(2Z)-2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-ylidene)-N-[(4-fluorophenyl)methyl]-N-methoxyacetamideAcetamide, 2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-ylidene)-N-((4-fluorophenyl)methyl)-N-methoxy-, (2Z)-Acetamide, 2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-ylidene)-N-[(4-fluorophenyl)methyl]-N-methoxy-BMS538158SCHEMBL6077512AKOS040750868Q27251407
Show more names
(2E)-2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-ylidene)-N-[(4-fluorophenyl)methyl]-N-methoxyacetamide
Database identifiers
- CAS
543730-36-5
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 65.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 469
Physicochemical properties
- Boiling point
- 423.2 · 423.2±55.0 °C(Predicted)
- Density
- 1.335 · 1.335±0.06 g/cm3(Predicted)
- FDA UNII
- 12 FDL11K9B · 12FDL11K9B
Chemistry & industry
Suppliers4 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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