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Basic information
- CAS
574759-32-3- Standard SMILES
CC(C)(CO)c1ccc(CN(Cc2cccc(OCC(=O)O)c2)S(=O)(=O)c2cccnc2)cc1- InChIKey
XKQNMAZMTKTTIA-UHFFFAOYSA-N- Molecular formula
- C25H28N2O6S
- Average molar mass
- 484.6 g/mol
Names & identifiers
- Preferred name
- CP-533,536 metabolite M4
- IUPAC
- 2-[3-[[[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]methyl-pyridin-3-ylsulfonylamino]methyl]phenoxy]acetic acid
Names & synonyms
CP-533,536 metabolite M4598TY5TBF1UNII-598TY5TBF1574759-32-3(3-(((4-(2-Hydroxy-1,1-dimethylethyl)benzyl)-N-((pyridin-3-yl)sulfonyl)amino)methyl)phenoxy)acetic acid2-(3-((((4-(2-Hydroxy-1,1-dimethylethyl)phenyl)methyl)(3-pyridinylsulfonyl)amino)methyl)phenoxy)acetic acidAcetic acid, 2-(3-((((4-(2-hydroxy-1,1-dimethylethyl)phenyl)methyl)(3-pyridinylsulfonyl)amino)methyl)phenoxy)-OMEGA-HYDROXY EVATANEPAGSCHEMBL6276293XKQNMAZMTKTTIA-UHFFFAOYSA-N(3-{[[4-(2-Hydroxy-1,1-dimethyl-ethyl)-benzyl]-(pyridine-3-sulfonyl)-amino]-methyl}-phenoxy)-acetic acid
Database identifiers
- CAS
574759-32-3- PubChem CID
- 9956982
- UNII
- 598TY5TBF1
Properties
Computed structural propertiesFilling in
- XLogP
- 3
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 11
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 745
Related reactions
2 records
Compound notes
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