4-(2,5-dimethoxyphenyl)-N-(2,3-dimethylphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
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Basic information
- CAS
373611-83-7- Standard SMILES
COc1ccc(OC)c(C2NC(=S)NC(C)=C2C(=O)Nc2cccc(C)c2C)c1- InChIKey
ATCNEJHPXRWFBK-UHFFFAOYSA-N- Molecular formula
- C22H25N3O3S
- Average molar mass
- 411.5 g/mol
- Monoisotopic mass
- 411.16166284
Names & identifiers
- Preferred name
- 4-(2,5-dimethoxyphenyl)-N-(2,3-dimethylphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
- IUPAC
- 4-(2,5-dimethoxyphenyl)-N-(2,3-dimethylphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
- English name
- 4-(2,5-dimethoxyphenyl)-N-(2,3-dimethylphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
- Molecular formula
- C22H25N3O3S
- Molecular weight
- 411.52
Names & synonyms
4-(2,5-dimethoxyphenyl)-N-(2,3-dimethylphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamideSTK559426AKOS005486703AKOS0305092204-(2,5-dimethoxyphenyl)-N-(2,3-dimethylphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamideAO-364/144802606-(2,5-dimethoxyphenyl)-N-(2,3-dimethylphenyl)-4-methyl-2-sulfanyl-1,6-dihydropyrimidine-5-carboxamide5-Pyrimidinecarboxamide, 4-(2,5-dimethoxyphenyl)-N-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-6-methyl-2-thioxo-
Database identifiers
- CAS
373611-83-7- PubChem CID
- 3427377
Properties
Computed structural propertiesFilling in
- XLogP
- 3.3
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 653
Physicochemical properties
- Density
- 1.27 · 1.27±0.1 g/cm3(Predicted)
- pka
- 11.19 · 11.19±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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