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Basic information
- Standard SMILES
CCOC(=O)[C@@H](C)Oc1cc(NS(=O)(=O)c2ccc(C(=O)NC(C)(C)C)o2)nc(SCc2cccc(F)c2F)n1- InChIKey
UIWCBPCMVCHTGO-CQSZACIVSA-N- Molecular formula
- C25H28F2N4O7S2
- Average molar mass
- 598.6 g/mol
- Monoisotopic mass
- 598.13674792
Names & identifiers
- Preferred name
- ethyl (2R)-2-({6-[({5-[(tert-butylamino)carbonyl]-2-furyl}sulfonyl)amino]-2-[(2,3-difluorobenzyl)thio]pyrimidin-4-yl}oxy)propanoate
- IUPAC
- ethyl (2R)-2-[6-[[5-(tert-butylcarbamoyl)furan-2-yl]sulfonylamino]-2-[(2,3-difluorophenyl)methylsulfanyl]pyrimidin-4-yl]oxypropanoate
Names & synonyms
ethyl (2R)-2-({6-[({5-[(tert-butylamino)carbonyl]-2-furyl}sulfonyl)amino]-2-[(2,3-difluorobenzyl)thio]pyrimidin-4-yl}oxy)propanoateethyl (2R)-2-({6-[({5-[(tert-butylamino)carbonyl]-2-furyl)sulfonyl)amino]-2-[(2,3-difluorobenzyl)thio]pyrimidin-4-yl)oxy)propanoateethyl (2R)-2-({6-[({5-[(tert-butylamino)carbonyl]-2-furyl}sulfonyl)amino]-2-[(2,3-difluorobenzyl)thio]pyrimidin-4-yl)oxy)propanoateSCHEMBL1487044UIWCBPCMVCHTGO-CQSZACIVSA-N
Database identifiers
- PubChem CID
- 53628366
Properties
Computed structural propertiesFilling in
- XLogP
- 4.6
- Topological polar surface area
- 183 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 13
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 966
Related reactions
8 records
Compound notes
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