Basic information
- Standard SMILES
CCN1CCN(c2nc(OC)nc(NNC(=O)[C@H](CC3CCCC3)CN(C=O)OCc3ccccc3)c2F)CC1- InChIKey
GEDBDVCTCDTUEX-HSZRJFAPSA-N- Molecular formula
- C28H40FN7O4
- Average molar mass
- 557.7 g/mol
Names & identifiers
- Preferred name
- ((2R)-2-(cyclopentylmethyl)-3-{2-[6-(4-ethyl-1-piperazinyl)-5-fluoro-2-(methyloxy)-4-pyrimidinyl]hydrazino}-3-oxopropyl)[(phenylmethyl)oxy]formamide
- IUPAC
- N-[(2R)-2-(cyclopentylmethyl)-3-[2-[6-(4-ethylpiperazin-1-yl)-5-fluoro-2-methoxypyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-phenylmethoxyformamide
Names & synonyms
SCHEMBL1189915GEDBDVCTCDTUEX-HSZRJFAPSA-N((2R)-2-(cyclopentylmethyl)-3-{2-[6-(4-ethyl-1-piperazinyl)-5-fluoro-2-(methyloxy)-4-pyrimidinyl]hydrazino}-3-oxopropyl)[(phenylmethyl)oxy]formamide
Database identifiers
- PubChem CID
- 86636936
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 13
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 763
Related reactions
2 records
Compound notes
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