(2S)-2-(3-{5-[(5S)-5-Methyl-4,5-dihydro-1,3-oxazol-2-yl]-1H-pyrrol-2-yl}-5-{[6-(methylsulfonyl)pyridazin-3-yl]oxy}phenoxy)propan-1-ol
Basic information
- Standard SMILES
C[C@H]1CN=C(c2ccc(-c3cc(Oc4ccc(S(C)(=O)=O)nn4)cc(O[C@@H](C)CO)c3)[nH]2)O1- InChIKey
SVVOYSIOWGCUOV-KBPBESRZSA-N- Molecular formula
- C22H24N4O6S
- Average molar mass
- 472.5 g/mol
- Monoisotopic mass
- 472.14165567
Names & identifiers
- Preferred name
- (2S)-2-(3-{5-[(5S)-5-Methyl-4,5-dihydro-1,3-oxazol-2-yl]-1H-pyrrol-2-yl}-5-{[6-(methylsulfonyl)pyridazin-3-yl]oxy}phenoxy)propan-1-ol
- IUPAC
- (2S)-2-[3-[5-[(5S)-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]-1H-pyrrol-2-yl]-5-(6-methylsulfonylpyridazin-3-yl)oxyphenoxy]propan-1-ol
Names & synonyms
SCHEMBL422207SVVOYSIOWGCUOV-KBPBESRZSA-N(2S)-2-(3-{5-[(5S)-5-Methyl-4,5-dihydro-1,3-oxazol-2-yl]-1H-pyrrol-2-yl}-5-{[6-(methylsulfonyl)pyridazin-3-yl]oxy}phenoxy)propan-1-ol
Database identifiers
- PubChem CID
- 51042425
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 144 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 790
Related reactions
2 records
Compound notes
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