Basic information
- CAS
878937-45-2- Standard SMILES
Cc1cc(=O)[nH]c(SCC(=O)Nc2ccc3c(c2)CCC3)c1C#N- InChIKey
DDAZDPBHFZNLMW-UHFFFAOYSA-N- Molecular formula
- C18H17N3O2S
- Average molar mass
- 339.4 g/mol
- Monoisotopic mass
- 339.10414797
Names & identifiers
- Preferred name
- 2-[(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)sulfanyl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide
- IUPAC
- 2-[(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)sulfanyl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide
Names & synonyms
MLS002156379CHEMBL1395487DTXSID101321438HMS3054H11AKOS0339208152-[(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)sulfanyl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide878937-45-2SMR0012388852-[(3-cyano-4-methyl-6-oxo-1,6-dihydropyridin-2-yl)sulfanyl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide
Database identifiers
- CAS
878937-45-2- PubChem CID
- 9505342
- DTXSID
DTXSID101321438- ChEMBL
CHEMBL1395487
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 658
Experimental & physicochemical properties
Solubility17.7 [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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