4-(3-bromophenyl)-N-(4-methoxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
Basic information
- CAS
333767-71-8- Standard SMILES
COc1ccc(NC(=O)C2=C(C)NC(=S)NC2c2cccc(Br)c2)cc1- InChIKey
CXQJRIIQGOKTDS-UHFFFAOYSA-N- Molecular formula
- C19H18BrN3O2S
- Average molar mass
- 432.3 g/mol
- Monoisotopic mass
- 431.03031
Names & identifiers
- Preferred name
- 4-(3-bromophenyl)-N-(4-methoxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
- IUPAC
- 4-(3-bromophenyl)-N-(4-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
- English name
- 4-(3-bromophenyl)-N-(4-methoxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
- Molecular formula
- C19H18BrN3O2S
- Molecular weight
- 432.33412
Names & synonyms
4-(3-bromophenyl)-N-(4-methoxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide4-(3-bromophenyl)-N-(4-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamideSTK283465AKOS000633464AKOS022065647ST50243604AJ-292/12641034[6-(3-bromophenyl)-4-methyl-2-thioxo(1,3,6-trihydropyrimidin-5-yl)]-N-(4-metho xyphenyl)carboxamide333767-71-8
Database identifiers
- CAS
333767-71-8- PubChem CID
- 2866257
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 94.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 575
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Compound notes
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