Basic information
- Standard SMILES
O=C(O)c1ccc(N2CCN(Cc3cnc4c(c3)NC(=O)[C@@H]3CCCCN43)CC2)cc1- InChIKey
FGCMPNDBDHIPKZ-FQEVSTJZSA-N- Molecular formula
- C23H27N5O3
- Average molar mass
- 421.5 g/mol
Names & identifiers
- Preferred name
- (S)-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)benzoic acid
- IUPAC
- 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]benzoic acid
Names & synonyms
SCHEMBL707519FGCMPNDBDHIPKZ-FQEVSTJZSA-N(S)-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)benzoic acid(S)-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)benzoic acid
Database identifiers
- PubChem CID
- 58324508
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 89 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 660
Related reactions
24 records
Compound notes
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