4H-Pyrido[1,2-a]thieno[2,3-d]pyrimidine-2-carboxamide, N-[2-(methylthio)phenyl]-4-oxo-
Basic information
- CAS
519050-47-6- Standard SMILES
CSc1ccccc1NC(=O)c1cc2c(=O)n3ccccc3nc2s1- InChIKey
YTXHDQHTRLAAON-UHFFFAOYSA-N- Molecular formula
- C18H13N3O2S2
- Average molar mass
- 367.4 g/mol
- Monoisotopic mass
- 367.04491901
Names & identifiers
- Preferred name
- 4H-Pyrido[1,2-a]thieno[2,3-d]pyrimidine-2-carboxamide, N-[2-(methylthio)phenyl]-4-oxo-
- IUPAC
- N-(2-methylsulfanylphenyl)-2-oxo-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
Names & synonyms
519050-47-64H-Pyrido[1,2-a]thieno[2,3-d]pyrimidine-2-carboxamide, N-[2-(methylthio)phenyl]-4-oxo-N-(2-(methylthio)phenyl)-4-oxo-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidine-2-carboxamideN-[2-(methylsulfanyl)phenyl]-4-oxo-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidine-2-carboxamideN-[2-(methylthio)phenyl]-4-oxo-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidine-2-carboxamideMLS001035575CHEMBL1507507DTXSID701126921HMS2976E15STK873251AKOS000810458SMR000669236
Show more names
Z56836525F0598-0218N-(2-methylsulfanylphenyl)-2-oxo-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
Database identifiers
- CAS
519050-47-6- PubChem CID
- 1249697
- DTXSID
DTXSID701126921- ChEMBL
CHEMBL1507507
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 661
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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