R 73335
Basic information
- CAS
120785-90-2- Standard SMILES
NC(=O)C1CN(CCCCC(c2ccc(F)cc2)c2ccc(F)cc2)CCN1CC(=O)Nc1c2c([nH]c(=O)c1Cl)CCC2- InChIKey
GOKKPWUNSNXSBR-UHFFFAOYSA-N- Molecular formula
- C32H36ClF2N5O3
- Average molar mass
- 612.1 g/mol
- Monoisotopic mass
- 611.247474
Overview
inhibitor of adenosine flux
Names & identifiers
- Preferred name
- R 73335
- IUPAC
- 4-[5,5-bis(4-fluorophenyl)pentyl]-1-[2-[(3-chloro-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridin-4-yl)amino]-2-oxoethyl]piperazine-2-carboxamide
Names & synonyms
120785-90-2R 73335R-733351-Piperazineacetamide, 2-(aminocarbonyl)-4-(5,5-bis(4-fluorophenyl)pentyl)-N-(3-chloro-2,5,6,7-tetrahydro-2-oxo-1H-1-pyrindin-4-yl)-RefChem:1784264-[5,5-bis(4-fluorophenyl)pentyl]-1-[2-[(3-chloro-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridin-4-yl)amino]-2-oxoethyl]piperazine-2-carboxamideDTXSID309235562-(Aminocarbonyl)-4-(5,5-bis(4-fluorophenyl)pentyl)-N-(3-chloro-2,5,6,7-tetrahydro-2-oxo-1H-pyridin-4-yl)-1-piperazine acetamide4-[5,5-Bis(4-fluorophenyl)pentyl]-1-{2-[(3-chloro-2-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)imino]-2-hydroxyethyl}piperazine-2-carboximidic acid
Database identifiers
- CAS
120785-90-2- PubChem CID
- 149071
- DTXSID
DTXSID30923556
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 1,080
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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