(2S,4S)-2-(2-(9-Bromo-8-oxo-8,9,10,11-tetrahydro-5H-dibenzo[c,g]chromen-3-yl)-2-oxoethyl) 1-tert-butyl 4-(methoxymethyl)pyrrolidine-1,2-dicarboxylate
Completing data — refresh the page later to see the latest
Basic information
- CAS
1378391-42-4- Standard SMILES
COC[C@H]1C[C@@H](C(=O)OCC(=O)c2ccc3c(c2)COc2cc4c(cc2-3)CCC(Br)C4=O)N(C(=O)OC(C)(C)C)C1- InChIKey
RNASTNSTOJLQQE-BKYMLMSRSA-N- Molecular formula
- C31H34BrNO8
- Average molar mass
- 628.5 g/mol
Names & identifiers
- Preferred name
- (2S,4S)-2-(2-(9-Bromo-8-oxo-8,9,10,11-tetrahydro-5H-dibenzo[c,g]chromen-3-yl)-2-oxoethyl) 1-tert-butyl 4-(methoxymethyl)pyrrolidine-1,2-dicarboxylate
- IUPAC
- 2-O-[2-(9-bromo-8-oxo-5,9,10,11-tetrahydronaphtho[2,3-c]isochromen-3-yl)-2-oxoethyl] 1-O-tert-butyl (2S,4S)-4-(methoxymethyl)pyrrolidine-1,2-dicarboxylate
- English name
- Velpatasvir intermediate
- Molecular formula
- C31H34BrNO8
- Molecular weight
- 628.51
Names & synonyms
(2S,4S)-2-(2-(9-Bromo-8-oxo-8,9,10,11-tetrahydro-5H-dibenzo[c,g]chromen-3-yl)-2-oxoethyl) 1-tert-butyl 4-(methoxymethyl)pyrrolidine-1,2-dicarboxylate1378391-42-41,2-Pyrrolidinedicarboxylic acid, 4-(methoxymethyl)-, 2-[2-(9-bromo-8,9,10,11-tetrahydro-8-oxo-5H-benzo[d]naphtho[2,3-b]pyran-3-yl)-2-oxoethyl] 1-(1,1-dimethylethyl) ester, (2S,4S)-SCHEMBL6126358(2S,4S)-2-(2-(9-bromo-8-oxo-8,9,10,11-tetrahydro-5H-dibenzo[c, g]chromen-3-yl)-2-oxoethyl) 1-tert-butyl 4-(methoxymethyl)pyrrolidine-1,2-dicarboxylate2-[2-(9-Bromo-8,9,10,11-tetrahydro-8-oxo-5H-benzo[d]naphtho[2,3-b]pyran-3-yl)-2-oxoethyl] 1-(1,1-dimethylethyl) (2S,4S)-4-(methoxymethyl)-1,2-pyrrolidinedicarboxylatevelpatasvir impurityVelpatasvir Impurity 25VP N-4Product:Velpatasvir intermediate(2S,4S)-2-(2-(9-bromo-8-oxo-8,9,10,11-tetrahydro-5H-dibenzo[...(2S,4S)-4-(Methoxymethyl)-1,2-pyrrolidinedicarboxylic acid 2-[2-(9-bromo-8,9,10,11-tetrahydro-8-oxo-5H-benzo[d]naphtho[2,3-b]pyran-3-yl)-2-oxoethyl] 1-(1,1-dimethylethyl) ester
Properties
Computed structural propertiesFilling in
- XLogP
- 4.9
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 1,010
Physicochemical properties
- Boiling point
- 746.4 · 746.4±60.0 °C(Predicted)
- Density
- 1.397 · 1.397±0.06 g/cm3(Predicted)
- pka
- -4.11 · -4.11±0.60(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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