Tert-butyl 4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-6-(4-(3-pyridin-4-ylureido)phenyl)-1,3,5-triazin-2-yl)piperazine-1-carboxylate
Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCN(c2nc(-c3ccc(NC(=O)Nc4ccncc4)cc3)nc(N3CC4CCC(C3)O4)n2)CC1- InChIKey
PXFMYXLKKJVHNC-UHFFFAOYSA-N- Molecular formula
- C30H37N9O4
- Average molar mass
- 587.7 g/mol
Names & identifiers
- Preferred name
- Tert-butyl 4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-6-(4-(3-pyridin-4-ylureido)phenyl)-1,3,5-triazin-2-yl)piperazine-1-carboxylate
- IUPAC
- tert-butyl 4-[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-6-[4-(pyridin-4-ylcarbamoylamino)phenyl]-1,3,5-triazin-2-yl]piperazine-1-carboxylate
Names & synonyms
SCHEMBL1409222PXFMYXLKKJVHNC-UHFFFAOYSA-Ntert-butyl 4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-6-(4-(3-pyridin-4-ylureido)phenyl)-1,3,5-triazin-2-yl)piperazine-1-carboxylate
Database identifiers
- PubChem CID
- 44548641
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 7
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 932
Related reactions
16 records
Compound notes
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