Basic information
- Standard SMILES
CC(C)(C)OC(=O)Nc1ncc(-c2ccc(S(=O)(=O)C3CCCN(C(=O)OC(C)(C)C)C3)cc2)nc1-c1cc(-c2ccccc2O)no1- InChIKey
NPHFJNFIGTVNER-UHFFFAOYSA-N- Molecular formula
- C34H39N5O8S
- Average molar mass
- 677.8 g/mol
Names & identifiers
- Preferred name
- Tert-butyl 3-((4-(5-((tert-butoxycarbonyl)amino)-6-(3-(2-hydroxyphenyl)isoxazol-5-yl)pyrazin-2-yl)phenyl)sulfonyl)piperidine-1-carboxylate
- IUPAC
- tert-butyl 3-[4-[6-[3-(2-hydroxyphenyl)-1,2-oxazol-5-yl]-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazin-2-yl]phenyl]sulfonylpiperidine-1-carboxylate
Names & synonyms
SCHEMBL14917011NPHFJNFIGTVNER-UHFFFAOYSA-Ntert-butyl 3-((4-(5-((tert-butoxycarbonyl)amino)-6-(3-(2-hydroxyphenyl)isoxazol-5-yl)pyrazin-2-yl)phenyl)sulfonyl)piperidine-1-carboxylate
Database identifiers
- PubChem CID
- 136387756
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 182 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 10
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 1,210
Related reactions
1 records
Compound notes
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