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Basic information
- Standard SMILES
CCOP(=O)(C=Cc1cn(-c2ccccc2)nc1OCc1ccc(OCc2nc(N3CCC(C(=O)O)CC3)sc2C)c(OC)c1)OCC- InChIKey
DYXTYFVLRDMVRH-UHFFFAOYSA-N- Molecular formula
- C34H41N4O8PS
- Average molar mass
- 696.8 g/mol
Names & identifiers
- Preferred name
- 1-[4-[[4-[[4-(2-Diethoxyphosphorylethenyl)-1-phenylpyrazol-3-yl]oxymethyl]-2-methoxyphenoxy]methyl]-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxylic acid
- IUPAC
- 1-[4-[[4-[[4-(2-diethoxyphosphorylethenyl)-1-phenylpyrazol-3-yl]oxymethyl]-2-methoxyphenoxy]methyl]-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxylic acid
Names & synonyms
SCHEMBL4854119
Database identifiers
- PubChem CID
- 90708586
Properties
Computed structural propertiesFilling in
- XLogP
- 5.3
- Topological polar surface area
- 163 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 16
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 1,070
Related reactions
1 records
Compound notes
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