6-((S)-2-methyl-pyrrolidine-1-carbonyl)-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxylic acid [(R)-1-(3-chloro-4-cyano-phenyl)-propyl]-amide
Basic information
- Standard SMILES
CC[C@@H](NC(=O)c1cc(C(=O)N2CCC[C@@H]2C)n2c1COCC2)c1ccc(C#N)c(Cl)c1- InChIKey
HHOVMBFTSSHMBV-MGPUTAFESA-N- Molecular formula
- C24H27ClN4O3
- Average molar mass
- 454.9 g/mol
Names & identifiers
- Preferred name
- 6-((S)-2-methyl-pyrrolidine-1-carbonyl)-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxylic acid [(R)-1-(3-chloro-4-cyano-phenyl)-propyl]-amide
- IUPAC
- N-[(1R)-1-(3-chloro-4-cyanophenyl)propyl]-6-[(2S)-2-methylpyrrolidine-1-carbonyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide
Names & synonyms
CHEMBL3958545SCHEMBL15166347HHOVMBFTSSHMBV-MGPUTAFESA-NBDBM218254US9284333, 16d6-((S)-2-methyl-pyrrolidine-1-carbonyl)-3,4-dihydro-1H- pyrrolo[2,1-c][1,4]oxazine-8-carboxylic acid [(R)-1-(3-chloro-4-cyano-phenyl)-propyl]-amide6-((S)-2-methyl-pyrrolidine-1-carbonyl)-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxylic acid [(R)-1-(3-chloro-4-cyano-phenyl)-propyl]-amide
Database identifiers
- PubChem CID
- 71696258
- ChEMBL
CHEMBL3958545
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 87.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 755
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Related reactions
1 records
Compound notes
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