Basic information
- Standard SMILES
Cc1ccc(C(C)C)cc1N1CCc2nc(-c3c(C)cccc3C)nc(N3C[C@H](C)N(C(=O)OC(C)(C)C)C[C@H]3C)c2C1- InChIKey
GZIKKVOOLRLSNT-SXOMAYOGSA-N- Molecular formula
- C36H49N5O2
- Average molar mass
- 583.8 g/mol
- Monoisotopic mass
- 583.38862582
Names & identifiers
- Preferred name
- Racemic tert-butyl 4-(2-(2,6-dimethylphenyl)-6-(5-isopropyl-2-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)-(trans)-2,5-dimethylpiperazine-1-carboxylate
- IUPAC
- tert-butyl (2S,5R)-4-[2-(2,6-dimethylphenyl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate
Names & synonyms
SCHEMBL14671785GZIKKVOOLRLSNT-SXOMAYOGSA-Nracemic tert-butyl 4-(2-(2,6-dimethylphenyl)-6-(5-isopropyl-2-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)-(trans)-2,5-dimethylpiperazine-1-carboxylate
Database identifiers
- PubChem CID
- 71244713
Properties
Computed structural properties
- XLogP
- 7.8
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 927
Related reactions
2 records
Compound notes
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