Basic information
- Standard SMILES
Cc1cccc(C)c1-c1nc2c(c(N3C[C@H](C)N(C(=O)OC(C)(C)C)C[C@H]3C)n1)CN(Cc1ccccc1)CC2- InChIKey
MTJGDIWOQMZNFD-RPBOFIJWSA-N- Molecular formula
- C33H43N5O2
- Average molar mass
- 541.7 g/mol
Names & identifiers
- Preferred name
- Racemic tert-Butyl 4-(6-benzyl-2-(2,6-dimethylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)-(trans)-2,5-dimethylpiperazine-1-carboxylate
- IUPAC
- tert-butyl (2S,5R)-4-[6-benzyl-2-(2,6-dimethylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate
Names & synonyms
SCHEMBL14671765MTJGDIWOQMZNFD-RPBOFIJWSA-NRacemic tert-Butyl 4-(6-benzyl-2-(2,6-dimethylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)-(trans)-2,5-dimethylpiperazine-1-carboxylate
Database identifiers
- PubChem CID
- 71244696
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 831
Related reactions
2 records
Compound notes
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