Basic information
- Standard SMILES
CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(C(=O)NC4CCNCC4)nc32)[C@H](O)[C@@H]1O- InChIKey
RXPSOFDPNZYXDW-ZVJSOJQNSA-N- Molecular formula
- C32H38N8O5
- Average molar mass
- 614.7 g/mol
Names & identifiers
- Preferred name
- 6-[(2,2-Diphenylethyl)amino]-9-{(2R,3R,4S,5S)-5-[(ethylamino)carbonyl]-3,4-dihydroxytetrahydro-2-furanyl}-N-(4-piperidinyl)-9H-purine-2-carboxamide
- IUPAC
- 6-(2,2-diphenylethylamino)-9-[(2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]-N-piperidin-4-ylpurine-2-carboxamide
Names & synonyms
SCHEMBL4383743RXPSOFDPNZYXDW-ZVJSOJQNSA-N6-[(2,2-Diphenylethyl)amino]-9-{(2R,3R,4S,5S)-5-[(ethylamino)carbonyl]-3,4-dihydroxytetrahydro-2-furanyl}-N-(4-piperidinyl)-9H-purine-2-carboxamide
Database identifiers
- PubChem CID
- 60091682
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 176 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 10
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 957
Related reactions
2 records
Compound notes
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