N-(4-chlorophenyl)-6-methyl-2-sulfanylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide
Basic information
- CAS
5769-16-4- Standard SMILES
CC1=C(C(=O)Nc2ccc(Cl)cc2)C(c2cccs2)NC(=S)N1- InChIKey
VASQTJZTSSEBLA-UHFFFAOYSA-N- Molecular formula
- C16H14ClN3OS2
- Average molar mass
- 363.9 g/mol
- Monoisotopic mass
- 363.0266821
Names & identifiers
- Preferred name
- N-(4-chlorophenyl)-6-methyl-2-sulfanylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide
- IUPAC
- N-(4-chlorophenyl)-6-methyl-2-sulfanylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide
Names & synonyms
5769-16-4CBMicro_032409DTXSID20973287AKOS000633647AKOS021997688N-(4-chlorophenyl)-6-methyl-2-sulfanylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamideBIM-0032315.P001EU-0077455ST50337813AB00096318-01SR-01000486558SR-01000486558-1
Show more names
N-(4-chlorophenyl)(4-methyl-6-(2-thienyl)-2-thioxo(1,3,6-trihydropyrimidin-5-y l))carboxamideN-(4-Chlorophenyl)-4-methyl-2-sulfanyl-6-(thiophen-2-yl)-1,6-dihydropyrimidine-5-carboxamideN-(4-chlorophenyl)-6-methyl-4-(2-thienyl)-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxamide
Database identifiers
- CAS
5769-16-4- PubChem CID
- 2867451
- DTXSID
DTXSID20973287
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 517
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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