Basic information
- Standard SMILES
CSc1nc(NNC(=O)[C@H](CC2CCCC2)CN(C=O)OC2CCCCO2)c(F)c(N2CCC2)n1- InChIKey
LGNRNELFBKEAAK-QNSVNVJESA-N- Molecular formula
- C23H35FN6O4S
- Average molar mass
- 510.6 g/mol
Names & identifiers
- Preferred name
- [(2R)-3-{2-[6-(1-azetidinyl)-5-fluoro-2-(methylthio)-4-pyrimidinyl]hydrazino}-2-(cyclopentylmethyl)-3-oxopropyl](tetrahydro-2H-pyran-2-yloxy)formamide
- IUPAC
- N-[(2R)-3-[2-[6-(azetidin-1-yl)-5-fluoro-2-methylsulfanylpyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-(oxan-2-yloxy)formamide
Names & synonyms
SCHEMBL1189354LGNRNELFBKEAAK-QNSVNVJESA-N[(2R)-3-{2-[6-(1-azetidinyl)-5-fluoro-2-(methylthio)-4-pyrimidinyl]hydrazino}-2-(cyclopentylmethyl)-3-oxopropyl](tetrahydro-2H-pyran-2-yloxy)formamide
Database identifiers
- PubChem CID
- 86636918
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 11
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 686
Related reactions
2 records
Compound notes
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