Basic information
- Standard SMILES
CC(=O)N1CCN(c2nc(-c3cccc4c3c(C)cn4S(=O)(=O)c3ccc(C)cc3)nc3c2CNCC3)[C@H](C)C1- InChIKey
QDKKFSGNJOEZAH-OAQYLSRUSA-N- Molecular formula
- C30H34N6O3S
- Average molar mass
- 558.7 g/mol
Names & identifiers
- Preferred name
- (R)-1-(3-methyl-4-(2-(3-methyl-1-tosyl-1H-indol-4-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)piperazin-1-yl)ethanone
- IUPAC
- 1-[(3R)-3-methyl-4-[2-[3-methyl-1-(4-methylphenyl)sulfonylindol-4-yl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanone
Names & synonyms
SCHEMBL14663009QDKKFSGNJOEZAH-OAQYLSRUSA-N(R)-1-(3-methyl-4-(2-(3-methyl-1-tosyl-1H-indol-4-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)piperazin-1-yl)ethanone
Database identifiers
- PubChem CID
- 71240570
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 1,010
Related reactions
2 records
Compound notes
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