1-[4-(5-bromo-2-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanone
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Basic information
- CAS
444935-67-5- Standard SMILES
COc1ccc(Br)cc1C1NC(=S)NC(C)=C1C(C)=O- InChIKey
UIFFLWCOZLBMQQ-UHFFFAOYSA-N- Molecular formula
- C14H15BrN2O2S
- Average molar mass
- 355.25 g/mol
- Monoisotopic mass
- 354.00376
Names & identifiers
- Preferred name
- 1-[4-(5-bromo-2-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanone
- IUPAC
- 1-[4-(5-bromo-2-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanone
- English name
- 1-[4-(5-bromo-2-methoxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl]ethanone
- Molecular formula
- C14H15BrN2O2S
- Molecular weight
- 355.2501
Names & synonyms
1-[4-(5-bromo-2-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanone1-[4-(5-bromo-2-methoxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl]ethanoneSTK960093AKOS003793565AK-968/15607329444935-67-5
Database identifiers
- CAS
444935-67-5- PubChem CID
- 5002458
Properties
Computed structural propertiesFilling in
- XLogP
- 2.1
- Topological polar surface area
- 82.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 452
Related reactions
0 records
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Compound notes
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