Basic information
- Standard SMILES
CC(C)CC(CO)Nc1nc(SCc2ccccc2)nc2nc(NC3CCN(C(=O)OC(C)(C)C)CC3)sc12- InChIKey
PTNYVSGTYDUPED-UHFFFAOYSA-N- Molecular formula
- C28H40N6O3S2
- Average molar mass
- 572.8 g/mol
Names & identifiers
- Preferred name
- Tert-butyl 4-[[5-benzylsulfanyl-7-[(1-hydroxy-4-methylpentan-2-yl)amino]-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]amino]piperidine-1-carboxylate
- IUPAC
- tert-butyl 4-[[5-benzylsulfanyl-7-[(1-hydroxy-4-methylpentan-2-yl)amino]-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]amino]piperidine-1-carboxylate
Names & synonyms
SCHEMBL5230375
Database identifiers
- PubChem CID
- 87798491
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 166 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 12
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 758
Related reactions
2 records
Compound notes
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