Basic information
- Standard SMILES
O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1)c1cc2cc(Cl)sc2[nH]1- InChIKey
DQASSTDTGCMTKE-INIZCTEOSA-N- Molecular formula
- C20H20ClN3O3S
- Average molar mass
- 417.9 g/mol
Names & identifiers
- Preferred name
- 2-Chloro-6H-thieno[2,3-b]pyrrole-5-carboxylic acid [(1S)-benzyl-2-morpholin-4-yl-2-oxo-ethyl]-amide
- IUPAC
- 2-chloro-N-[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide
Names & synonyms
SCHEMBL7241078DQASSTDTGCMTKE-INIZCTEOSA-N2-Chloro-6H-thieno[2,3-b]pyrrole-5-carboxylic acid [(1S)-benzyl-2-morpholin-4-yl-2-oxo-ethyl]-amide
Database identifiers
- PubChem CID
- 9866686
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 569
Related reactions
2 records
Compound notes
Loading…