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Basic information
- Standard SMILES
CC[C@@H]1C[C@H](O)C[C@@H]1C(=O)NNc1cnc2c(ccn2S(=O)(=O)c2ccc(C)cc2)n1- InChIKey
AESKUNPFORZOHZ-VYDXJSESSA-N- Molecular formula
- C21H25N5O4S
- Average molar mass
- 443.5 g/mol
- Monoisotopic mass
- 443.16272547
Names & identifiers
- Preferred name
- (1S,2R,4S)-2-ethyl-4-hydroxy-N'-(5-tosyl-5H-pyrrolo[2,3-b]pyrazin-2-yl)cyclopentanecarbohydrazide
- IUPAC
- (1S,2R,4S)-2-ethyl-4-hydroxy-N'-[5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-2-yl]cyclopentane-1-carbohydrazide
Names & synonyms
SCHEMBL9990329AESKUNPFORZOHZ-VYDXJSESSA-N(1S,2R,4S)-2-ethyl-4-hydroxy-N'-(5-tosyl-5H-pyrrolo[2, 3-b]pyrazin-2-yl)cyclopentanecarbo-hydrazide(1S,2R,4S)-2-ethyl-4-hydroxy-N'-(5-tosyl-5H-pyrrolo[2,3-b]pyrazin-2-yl)cyclopentane-carbohydrazide(1S,2R,4S)-2-ethyl-4-hydroxy-N'-(5-tosyl-5H-pyrrolo[2,3-b]pyrazin-2-yl)cyclopentanecarbo-hydrazide(1S,2R,4S)-2-ethyl-4-hydroxy-N'-(5-tosyl-5H-pyrrolo[2,3-b]pyrazin-2-yl)cyclopentanecarbohydrazide
Database identifiers
- PubChem CID
- 58557121
Properties
Computed structural propertiesFilling in
- XLogP
- 2.9
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 737
Related reactions
3 records
Compound notes
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