Basic information
- Standard SMILES
N#Cc1ccc(N2CCN(Cc3cnc4c(c3)NC(=O)[C@@H]3CSCCN43)CC2)nc1- InChIKey
GAWIEEZOQHXVNT-SFHVURJKSA-N- Molecular formula
- C21H23N7OS
- Average molar mass
- 421.5 g/mol
Names & identifiers
- Preferred name
- (R)-6-(4-((6-oxo-5,6,6a,7,9,10-hexahydropyrido[3,2-e][1,4]thiazino[4,3-a]pyrazin-3-yl)methyl)piperazin-1-yl)nicotinonitrile
- IUPAC
- 6-[4-[[(10R)-9-oxo-12-thia-1,3,8-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-trien-5-yl]methyl]piperazin-1-yl]pyridine-3-carbonitrile
Names & synonyms
SCHEMBL708067GAWIEEZOQHXVNT-SFHVURJKSA-N(R)-6-(4-((6-oxo-5,6,6a,7,9,10-hexahydropyrido[3,2-e][1,4]thiazino[4,3-a]pyrazin-3-yl)methyl)piperazin-1-yl)nicotinonitrile
Database identifiers
- PubChem CID
- 58324385
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 676
Related reactions
5 records
Compound notes
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