Basic information
- CAS
332099-45-3- Standard SMILES
COc1cc(OC)cc(C2NC(=S)NC(C)=C2C(=O)OCCc2ccccc2)c1- InChIKey
IUFDOGSLASAXIF-UHFFFAOYSA-N- Molecular formula
- C22H24N2O4S
- Average molar mass
- 412.5 g/mol
- Monoisotopic mass
- 412.14567842
Names & identifiers
- Preferred name
- 2-Phenylethyl 4-(3,5-dimethoxyphenyl)-1,2,3,4-tetrahydro-6-methyl-2-thioxo-5-pyrimidinecarboxylate
- IUPAC
- 2-phenylethyl 4-(3,5-dimethoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
Names & synonyms
Oprea1_637399DTXSID701115253AKOS0006376032-Phenylethyl 4-(3,5-dimethoxyphenyl)-1,2,3,4-tetrahydro-6-methyl-2-thioxo-5-pyrimidinecarboxylate332099-45-3ST511998602-Phenylethyl 4-(3,5-dimethoxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate2-PHENYLETHYL 4-(3,5-DIMETHOXYPHENYL)-6-METHYL-2-SULFANYLIDENE-3,4-DIHYDRO-1H-PYRIMIDINE-5-CARBOXYLATE
Database identifiers
- CAS
332099-45-3- PubChem CID
- 3125839
- DTXSID
DTXSID701115253
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 606
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…