3-(4-methoxyphenyl)-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one
Basic information
- CAS
93515-45-8- Standard SMILES
COc1ccc(-n2c(=S)[nH]c3ncccc3c2=O)cc1- InChIKey
VOIJSXAJCHKTSO-UHFFFAOYSA-N- Molecular formula
- C14H11N3O2S
- Average molar mass
- 285.32 g/mol
- Monoisotopic mass
- 285.05719778
Names & identifiers
- Preferred name
- 3-(4-methoxyphenyl)-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one
- IUPAC
- 3-(4-methoxyphenyl)-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one
Names & synonyms
3-(4-methoxyphenyl)-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-oneMLS001004585CHEMBL1417965DTXSID301325743HMS2744F12AKOS03444634393515-45-8SMR000348142Z556643733-(4-Methoxyphenyl)-2-sulfanylidene-2,3-dihydropyrido[2,3-d]pyrimidin-4(1H)-one
Database identifiers
- CAS
93515-45-8- PubChem CID
- 3924529
- DTXSID
DTXSID301325743- ChEMBL
CHEMBL1417965
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 86.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 396
Experimental & physicochemical properties
Solubility1.5 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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