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Basic information
- Standard SMILES
NC(=O)c1c(Cl)c(-c2ccccc2)n2c1CN(C(=O)CCC1CCCCC1)CC2- InChIKey
OQSSNQAVEGHOFE-UHFFFAOYSA-N- Molecular formula
- C23H28ClN3O2
- Average molar mass
- 413.9 g/mol
- Monoisotopic mass
- 413.1870048
Names & identifiers
- Preferred name
- 7-Chloro-2-(3-cyclohexylpropionyl)-6-phenyl-1,2,3,4-tetrahydropyrrolo [1,2-a]pyrazine-8-carboxylic acid amide
- IUPAC
- 7-chloro-2-(3-cyclohexylpropanoyl)-6-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-8-carboxamide
Names & synonyms
SCHEMBL4037560OQSSNQAVEGHOFE-UHFFFAOYSA-N7-chloro-2-(3-cyclohexylpropionyl)-6-phenyl-1,2,3,4-tetrahydropyrrolo [1,2-a]pyrazine-8-carboxylic acid amide7-chloro-2-(3-cyclohexylpropionyl)-6-phenyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-8-carboxylic acid amide
Database identifiers
- PubChem CID
- 58761998
Properties
Computed structural propertiesFilling in
- XLogP
- 3.9
- Topological polar surface area
- 68.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 589
Related reactions
2 records
Compound notes
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