Basic information
- CAS
60856-45-3- Standard SMILES
CCCCCCCCN1CCC2(CC1)CN=C1SC=C(c3ccc(Cl)c(Cl)c3)N1C2.O=C(O)C(=O)O.O=C(O)C(=O)O- InChIKey
NQSWWIRYDGCEJL-UHFFFAOYSA-N- Molecular formula
- C28H37Cl2N3O8S
- Average molar mass
- 646.6 g/mol
- Monoisotopic mass
- 645.1678417
Names & identifiers
- Preferred name
- Spiro(piperidine-4,6'(7'H)-(5H)thiazolo(3,2-a)pyrimidine), 3'-(3,4-dichlorophenyl)-1-octyl-, ethanedioate (1:2)
- IUPAC
- 3-(3,4-dichlorophenyl)-1'-octylspiro[5,7-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6,4'-piperidine];oxalic acid
Names & synonyms
60856-45-3Spiro(piperidine-4,6'(7'H)-(5H)thiazolo(3,2-a)pyrimidine), 3'-(3,4-dichlorophenyl)-1-octyl-, ethanedioate (1:2)DTXSID60209698RefChem:381221DTXCID10132189Oxalic acid--3'-(3,4-dichlorophenyl)-1-octyl-5'H,7'H-spiro[piperidine-4,6'-[1,3]thiazolo[3,2-a]pyrimidine] (2/1)
Database identifiers
- CAS
60856-45-3- PubChem CID
- 3045494
- DTXSID
DTXSID60209698
Properties
Computed structural properties
- Topological polar surface area
- 193 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 10
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 701
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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