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Basic information
- Standard SMILES
COc1nc(N2CCOCC2)nc(N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1-c1nc2cc(C(N)=O)ccc2s1- InChIKey
QYVZRTZBBZRIHD-QGZVFWFLSA-N- Molecular formula
- C27H35N7O5S
- Average molar mass
- 569.7 g/mol
Names & identifiers
- Preferred name
- tert-butyl (3R)-3-[[5-(5-carbamoyl-1,3-benzothiazol-2-yl)-6-methoxy-2-(morpholin-4-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate
- IUPAC
- tert-butyl (3R)-3-[[5-(5-carbamoyl-1,3-benzothiazol-2-yl)-6-methoxy-2-morpholin-4-ylpyrimidin-4-yl]amino]piperidine-1-carboxylate
Names & synonyms
SCHEMBL14932319QYVZRTZBBZRIHD-QGZVFWFLSA-Ntert-butyl (3R)-3-[[5-(5-carbamoyl-1,3-benzothiazol-2-yl)-6-methoxy-2-(morpholin-4-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate
Database identifiers
- PubChem CID
- 89554286
Properties
Computed structural propertiesFilling in
- XLogP
- 3.3
- Topological polar surface area
- 173 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 8
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 888
Related reactions
2 records
Compound notes
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