Basic information
- Standard SMILES
CCN1c2ncc(CN3CC=C(c4ccc(Cl)cc4)CC3)cc2NC(=O)[C@@H]1C- InChIKey
CDFLQJBYWUDOLH-HNNXBMFYSA-N- Molecular formula
- C22H25ClN4O
- Average molar mass
- 396.9 g/mol
Names & identifiers
- Preferred name
- (S)-7-((4-(4-chlorophenyl)-5,6-dihydropyridin-1(2H)-yl)methyl)-4-ethyl-3-methyl-3,4-dihydropyrido[3,2-b]pyrazin-2(1H)-one
- IUPAC
- (3S)-7-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-4-ethyl-3-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one
Names & synonyms
SCHEMBL709975CDFLQJBYWUDOLH-HNNXBMFYSA-N(S)-7-((4-(4-chlorophenyl)-5,6-dihydropyridin-1(2H)-yl)methyl)-4-ethyl-3-methyl-3,4-dihydropyrido[3,2-b]pyrazin-2(1H)-one
Database identifiers
- PubChem CID
- 58324433
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 48.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 589
Related reactions
5 records
Compound notes
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