Basic information
- CAS
6100-65-8- Standard SMILES
CN(C(=O)C1=CC2OCOC2C(OC(=O)c2cccc(C=CCc3ccccc3O)c2)C1)C(Cc1ccccc1)C(=O)NCCO- InChIKey
WZOHOBOTOUFXAN-UHFFFAOYSA-N- Molecular formula
- C36H38N2O8
- Average molar mass
- 626.7 g/mol
- Monoisotopic mass
- 626.26281617
Names & identifiers
- Preferred name
- 6-[{1-[(2-Hydroxyethyl)amino]-1-oxo-3-phenylpropan-2-yl}(methyl)carbamoyl]-3a,4,5,7a-tetrahydro-2H-1,3-benzodioxol-4-yl 3-[3-(2-hydroxyphenyl)prop-1-en-1-yl]benzoate
- IUPAC
- [6-[[1-(2-hydroxyethylamino)-1-oxo-3-phenylpropan-2-yl]-methylcarbamoyl]-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl] 3-[3-(2-hydroxyphenyl)prop-1-enyl]benzoate
Names & synonyms
6100-65-8DTXSID604112396-[{1-[(2-Hydroxyethyl)amino]-1-oxo-3-phenylpropan-2-yl}(methyl)carbamoyl]-3a,4,5,7a-tetrahydro-2H-1,3-benzodioxol-4-yl 3-[3-(2-hydroxyphenyl)prop-1-en-1-yl]benzoate
Database identifiers
- CAS
6100-65-8- PubChem CID
- 5223540
- DTXSID
DTXSID60411239
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 13
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 1,090
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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