Basic information
- CAS
60725-95-3- Standard SMILES
COc1ccc(N2C(=O)C3CCCCN3C2=S)cc1- InChIKey
NZJCKIIOYPDWHC-UHFFFAOYSA-N- Molecular formula
- C14H16N2O2S
- Average molar mass
- 276.36 g/mol
- Monoisotopic mass
- 276.09324893
Names & identifiers
- Preferred name
- 2-(4-Methoxyphenyl)-3-thioxohexahydroimidazo[1,5-a]pyridin-1(5h)-one
- IUPAC
- 2-(4-methoxyphenyl)-3-sulfanylidene-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-1-one
Names & synonyms
60725-95-32-(4-methoxyphenyl)-3-thioxohexahydroimidazo[1,5-a]pyridin-1(5h)-one2-(4-methoxyphenyl)-3-sulfanylidene-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-1-oneOprea1_504778SCHEMBL11556670DTXSID20976192AKOS037481398Imidazo(1,5-a)pyridin-1(5H)-one, hexahydro-2-(4-methoxyphenyl)-3-thioxo-AI-204/125770082-(4-Methoxyphenyl)-3-sulfanylidenehexahydroimidazo[1,5-a]pyridin-1(5H)-one
Database identifiers
- CAS
60725-95-3- PubChem CID
- 187992
- DTXSID
DTXSID20976192
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 64.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 380
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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