Ethyl(9aS)-4-(5-{[(1R)-2,3-dihydro-1H-inden-1-ylamino]carbonyl}-2-thienyl)-2-[2-(4-fluorophenyl)ethyl]-5-oxo-7,8,9,9a-tetrahydro-5H-pyrido[2,3-a]pyrrolizine-3-carboxylate
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
CCOC(=O)c1c(CCc2ccc(F)cc2)nc2c(c1-c1ccc(C(=O)N[C@@H]3CCc4ccccc43)s1)C(=O)N1CCC[C@@H]21- InChIKey
MQXVNRBHVGTSRF-RSXGOPAZSA-N- Molecular formula
- C35H32FN3O4S
- Average molar mass
- 609.7 g/mol
Names & identifiers
- Preferred name
- Ethyl(9aS)-4-(5-{[(1R)-2,3-dihydro-1H-inden-1-ylamino]carbonyl}-2-thienyl)-2-[2-(4-fluorophenyl)ethyl]-5-oxo-7,8,9,9a-tetrahydro-5H-pyrido[2,3-a]pyrrolizine-3-carboxylate
- IUPAC
- ethyl (9aS)-4-[5-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoyl]thiophen-2-yl]-2-[2-(4-fluorophenyl)ethyl]-5-oxo-7,8,9,9a-tetrahydropyrido[2,3-a]pyrrolizine-3-carboxylate
Names & synonyms
SCHEMBL5641824MQXVNRBHVGTSRF-RSXGOPAZSA-NEthyl(9aS)-4-(5-{[(1R)-2,3-dihydro-1H-inden-1-ylamino]carbonyl}-2-thienyl)-2 -[2-(4-fluorophenyl)ethyl]-5-oxo-7,8,9,9a-tetrahydro-5H-pyrido[2,3-a]pyrrolizine-3-carboxylateEthyl(9aS)-4-(5-{[(1R)-2,3-dihydro-1H-inden-1-ylamino]carbonyl}-2-thienyl)-2-[2-(4-fluorophenyl)ethyl]-5-oxo-7,8,9,9a-tetrahydro-5H-pyrido[2,3-a]pyrrolizine-3-carboxylate
Database identifiers
- PubChem CID
- 10240118
Properties
Computed structural propertiesFilling in
- XLogP
- 5.9
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 1,070
Related reactions
1 records
Compound notes
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