3-(2,3-Dihydro-1H-inden-5-yl)-2,3-dihydro-2-thioxo-4(1H)-quinazolinone
Basic information
- CAS
422274-60-0- Standard SMILES
O=c1c2ccccc2[nH]c(=S)n1-c1ccc2c(c1)CCC2- InChIKey
OMCQZLZTTFVFKF-UHFFFAOYSA-N- Molecular formula
- C17H14N2OS
- Average molar mass
- 294.4 g/mol
- Monoisotopic mass
- 294.08268425
Names & identifiers
- Preferred name
- 3-(2,3-Dihydro-1H-inden-5-yl)-2,3-dihydro-2-thioxo-4(1H)-quinazolinone
- IUPAC
- 3-(2,3-dihydro-1H-inden-5-yl)-2-sulfanylidene-1H-quinazolin-4-one
Names & synonyms
Oprea1_479378DTXSID7011547303-(2,3-Dihydro-1H-inden-5-yl)-2,3-dihydro-2-thioxo-4(1H)-quinazolinoneAKOS002090466AKOS009002252422274-60-0EU-0094373SR-01000556769SR-01000556769-13-(2,3-Dihydro-1H-inden-5-yl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Database identifiers
- CAS
422274-60-0- PubChem CID
- 5204045
- DTXSID
DTXSID701154730
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 64.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 452
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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