N-(4-bromophenyl)-4-(2,5-dimethoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
Basic information
- CAS
331272-49-2- Standard SMILES
COc1ccc(OC)c(C2NC(=S)NC(C)=C2C(=O)Nc2ccc(Br)cc2)c1- InChIKey
LEFKDVHHVHGJNU-UHFFFAOYSA-N- Molecular formula
- C20H20BrN3O3S
- Average molar mass
- 462.4 g/mol
- Monoisotopic mass
- 461.04088
Names & identifiers
- Preferred name
- N-(4-bromophenyl)-4-(2,5-dimethoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
- IUPAC
- N-(4-bromophenyl)-4-(2,5-dimethoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
Names & synonyms
331272-49-2N-(4-Bromophenyl)-4-(2,5-dimethoxyphenyl)-1,2,3,4-tetrahydro-6-methyl-2-thioxo-5-pyrimidinecarboxamideN-(4-bromophenyl)-4-(2,5-dimethoxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamideN-(4-bromophenyl)-4-(2,5-dimethoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamideDTXSID001112515AKOS000631513N-(4-bromophenyl)-4-(2,5-dimethoxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxamideN-(4-bromophenyl)-4-(2,5-dimethoxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamideST50337072AG-690/36491032F1011-1567[6-(2,5-dimethoxyphenyl)-4-methyl-2-thioxo(1,3,6-trihydropyrimidin-5-yl)]-N-(4 -bromophenyl)carboxamide
Database identifiers
- CAS
331272-49-2- PubChem CID
- 2848622
- DTXSID
DTXSID001112515
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 622
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