Basic information
- Standard SMILES
CCNC(=O)c1ccc(N2CCN(Cc3cnc4c(c3)NC(=O)[C@@H]3CCCCN43)CC2)c(C)c1- InChIKey
LDMNYLXCFNARPT-QHCPKHFHSA-N- Molecular formula
- C26H34N6O2
- Average molar mass
- 462.6 g/mol
- Monoisotopic mass
- 462.27432435
Names & identifiers
- Preferred name
- (S)-N-ethyl-3-methyl-4-(4-((6-oxo-6,6a,7,8,9,10-hexahydro-5H-dipyrido[1,2-a:3',2'-e]pyrazin-3-yl)methyl)piperazin-1-yl)benzamide
- IUPAC
- N-ethyl-3-methyl-4-[4-[[(10S)-9-oxo-1,3,8-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-trien-5-yl]methyl]piperazin-1-yl]benzamide
Names & synonyms
SCHEMBL718763LDMNYLXCFNARPT-QHCPKHFHSA-N(S)-N-ethyl-3-methyl-4-(4-((6-oxo-6,6a,7,8,9,10-hexahydro-5H-dipyrido[1,2-a:3',2'-e]pyrazin-3-yl)methyl)piperazin-1-yl)benzamide
Database identifiers
- PubChem CID
- 46864564
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 80.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 726
Related reactions
5 records
Compound notes
Loading…