Basic information
- Standard SMILES
CCOC(=O)C1=C(C)N(Cc2ccccc2)C(=O)NC1c1ccccc1- InChIKey
OTTYPLCWASEQQI-UHFFFAOYSA-N- Molecular formula
- C21H22N2O3
- Average molar mass
- 350.4 g/mol
Names & identifiers
- Preferred name
- Ethyl 1-benzyl-6-methyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
- IUPAC
- ethyl 3-benzyl-4-methyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate
Names & synonyms
CHEMBL3787294ethyl 1-benzyl-6-methyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate321680-26-6CBiol_001018Oprea1_787855Oprea1_858557BDBM50629243ICCB4_000314STL438259AKOS000508710AKOS016042919SR-01000400954
Show more names
SR-01000400954-1Z46665083
Database identifiers
- PubChem CID
- 2940339
- ChEMBL
CHEMBL3787294
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 545
Related reactions
1 records
Compound notes
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