[4-{4-[(2-methoxy-4-{[(4-{(E)-2-[5-methyl-2-(piperidin-1-yl)-1,3-thiazol-4-yl]ethenyl}-1-phenyl-1H-pyrazol-3-yl)oxy]methyl}phenoxy)methyl]-5-methyl-1,3-oxazol-2-yl}phenyl]acetic acid
Basic information
- Standard SMILES
COc1cc(COc2nn(-c3ccccc3)cc2/C=C/c2nc(N3CCCCC3)sc2C)ccc1OCc1nc(-c2ccc(CC(=O)O)cc2)oc1C- InChIKey
JROOODOSZLUBOP-ISLYRVAYSA-N- Molecular formula
- C41H41N5O6S
- Average molar mass
- 731.9 g/mol
Names & identifiers
- Preferred name
- [4-{4-[(2-methoxy-4-{[(4-{(E)-2-[5-methyl-2-(piperidin-1-yl)-1,3-thiazol-4-yl]ethenyl}-1-phenyl-1H-pyrazol-3-yl)oxy]methyl}phenoxy)methyl]-5-methyl-1,3-oxazol-2-yl}phenyl]acetic acid
- IUPAC
- 2-[4-[4-[[2-methoxy-4-[[4-[(E)-2-(5-methyl-2-piperidin-1-yl-1,3-thiazol-4-yl)ethenyl]-1-phenylpyrazol-3-yl]oxymethyl]phenoxy]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]acetic acid
Names & synonyms
SCHEMBL4851062JROOODOSZLUBOP-ISLYRVAYSA-N[4-{4-[(2-methoxy-4-{[(4-{(E)-2-[5-methyl-2-(piperidin-1-yl)-1,3-thiazol-4-yl]ethenyl}-1-phenyl-1H-pyrazol-3-yl)oxy]methyl}phenoxy)methyl]-5-methyl-1,3-oxazol-2-yl}phenyl]acetic acid
Database identifiers
- PubChem CID
- 69217161
Properties
Computed structural properties
- XLogP
- 8.1
- Topological polar surface area
- 153 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 14
- Heavy atoms
- 53
- Formal charge
- 0
- Complexity
- 1,170
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Related reactions
1 records
Compound notes
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