Basic information
- CAS
36067-29-5- Standard SMILES
CCC1(c2ccc(-c3ccccc3)cc2)OC(OC(=O)NC)C=CC1=O- InChIKey
PHNMLPNNLREWNG-UHFFFAOYSA-N- Molecular formula
- C21H21NO4
- Average molar mass
- 351.4 g/mol
- Monoisotopic mass
- 351.14705815
Names & identifiers
- Preferred name
- [6-ethyl-5-oxo-6-(4-phenylphenyl)-2H-pyran-2-yl] N-methylcarbamate
- IUPAC
- [6-ethyl-5-oxo-6-(4-phenylphenyl)-2H-pyran-2-yl] N-methylcarbamate
Names & synonyms
36067-29-5NSC288752[6-ethyl-5-oxo-6-(4-phenylphenyl)-2H-pyran-2-yl] N-methylcarbamateDTXSID50314826NSC-2887526-([1,1'-Biphenyl]-4-yl)-6-ethyl-5-oxo-5,6-dihydro-2H-pyran-2-yl methylcarbamate
Database identifiers
- CAS
36067-29-5- PubChem CID
- 324239
- DTXSID
DTXSID50314826
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 532
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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