Benzoic acid, 2-(((tetrahydro-5-ethyl-3-methyl-5-phenyl-2,4,6-trioxo-1(2H)-pyrimidinyl)acetyl)amino)-
Basic information
- CAS
70959-39-6- Standard SMILES
CCC1(c2ccccc2)C(=O)N(C)C(=O)N(CC(=O)Nc2ccccc2C(=O)O)C1=O- InChIKey
SFKUQHZMACOMAZ-UHFFFAOYSA-N- Molecular formula
- C22H21N3O6
- Average molar mass
- 423.4 g/mol
- Monoisotopic mass
- 423.1430354
Names & identifiers
- Preferred name
- Benzoic acid, 2-(((tetrahydro-5-ethyl-3-methyl-5-phenyl-2,4,6-trioxo-1(2H)-pyrimidinyl)acetyl)amino)-
- IUPAC
- 2-[[2-(5-ethyl-3-methyl-2,4,6-trioxo-5-phenyl-1,3-diazinan-1-yl)acetyl]amino]benzoic acid
Names & synonyms
70959-39-6BRN 0729365Benzoic acid, 2-(((tetrahydro-5-ethyl-3-methyl-5-phenyl-2,4,6-trioxo-1(2H)-pyrimidinyl)acetyl)amino)-DTXSID509912572-{[2-(5-Ethyl-3-methyl-2,4,6-trioxo-5-phenyl-1,3-diazinan-1-yl)-1-hydroxyethylidene]amino}benzoic acid
Database identifiers
- CAS
70959-39-6- PubChem CID
- 51218
- DTXSID
DTXSID50991257
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 762
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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