Basic information
- CAS
7468-40-8- Standard SMILES
O=C1NC(=O)C(CCc2ccccc2)(CCC2CCCC2)C(=O)N1- InChIKey
KREKKVFMTNLVQL-UHFFFAOYSA-N- Molecular formula
- C19H24N2O3
- Average molar mass
- 328.4 g/mol
- Monoisotopic mass
- 328.17869263
Names & identifiers
- Preferred name
- 5-(2-cyclopentylethyl)-5-(2-phenylethyl)pyrimidine-2,4,6(1H,3H,5H)-trione
- IUPAC
- 5-(2-cyclopentylethyl)-5-(2-phenylethyl)-1,3-diazinane-2,4,6-trione
Names & synonyms
7468-40-85-(2-cyclopentylethyl)-5-(2-phenylethyl)pyrimidine-2,4,6(1H,3H,5H)-trioneNSC400777DTXSID90275523NSC-4007775-(2-cyclopentylethyl)-5-(2-phenylethyl)-1,3-diazinane-2,4,6-trione
Database identifiers
- CAS
7468-40-8- PubChem CID
- 48419
- DTXSID
DTXSID90275523
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 471
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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