Ethyl 6-(4-bromophenyl)-4-methyl-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate
Basic information
- CAS
5741-71-9- Standard SMILES
CCOC(=O)C1=C(C)N(c2ccccc2)C(=S)NC1c1ccc(Br)cc1- InChIKey
NXXCDFUTGQLYLE-UHFFFAOYSA-N- Molecular formula
- C20H19BrN2O2S
- Average molar mass
- 431.3 g/mol
- Monoisotopic mass
- 430.03506
Names & identifiers
- Preferred name
- Ethyl 6-(4-bromophenyl)-4-methyl-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate
- IUPAC
- ethyl 6-(4-bromophenyl)-4-methyl-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate
Names & synonyms
CBMicro_0300555741-71-9ethyl 6-(4-bromophenyl)-4-methyl-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylateDTXSID40386577BIM-0029824.P001Ethyl 4-(4-bromophenyl)-6-methyl-1-phenyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylateethyl 4-(4-bromophenyl)-6-methyl-1-phenyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
Database identifiers
- CAS
5741-71-9- PubChem CID
- 2866091
- DTXSID
DTXSID40386577
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 73.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 566
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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