(1,4-Dithia-7-azaspiro[4.4]nonan-7-yl)[3-(1,2-thiazol-5-yl)phenyl]methanone
Basic information
- CAS
1202781-76-7- Standard SMILES
O=C(c1cccc(-c2ccns2)c1)N1CCC2(C1)SCCS2- InChIKey
RJSZBJBUXIHNEU-UHFFFAOYSA-N- Molecular formula
- C16H16N2OS3
- Average molar mass
- 348.5 g/mol
- Monoisotopic mass
- 348.04247666
Names & identifiers
- Preferred name
- (1,4-Dithia-7-azaspiro[4.4]nonan-7-yl)[3-(1,2-thiazol-5-yl)phenyl]methanone
- IUPAC
- 1,4-dithia-7-azaspiro[4.4]nonan-7-yl-[3-(1,2-thiazol-5-yl)phenyl]methanone
Names & synonyms
1202781-76-7DTXSID40680345(1,4-Dithia-7-azaspiro[4.4]nonan-7-yl)[3-(1,2-thiazol-5-yl)phenyl]methanone
Database identifiers
- CAS
1202781-76-7- PubChem CID
- 52180959
- DTXSID
DTXSID40680345
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 428
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Related reactions
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Compound notes
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