1,3,4-Oxadiazole-2(3H)-thione, 5-(((2-ethyl-4-quinazolinyl)oxy)methyl)-3-((4-(4-methylphenyl)-1-piperazinyl)methyl)-
Basic information
- CAS
96546-96-2- Standard SMILES
CCc1nc(OCc2nn(CN3CCN(c4ccc(C)cc4)CC3)c(=S)o2)c2ccccc2n1- InChIKey
BSURCHUTWLVWTA-UHFFFAOYSA-N- Molecular formula
- C25H28N6O2S
- Average molar mass
- 476.6 g/mol
- Monoisotopic mass
- 476.19944533
Names & identifiers
- Preferred name
- 1,3,4-Oxadiazole-2(3H)-thione, 5-(((2-ethyl-4-quinazolinyl)oxy)methyl)-3-((4-(4-methylphenyl)-1-piperazinyl)methyl)-
- IUPAC
- 5-[(2-ethylquinazolin-4-yl)oxymethyl]-3-[[4-(4-methylphenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole-2-thione
Names & synonyms
BRN 56744051,3,4-Oxadiazole-2(3H)-thione, 5-(((2-ethyl-4-quinazolinyl)oxy)methyl)-3-((4-(4-methylphenyl)-1-piperazinyl)methyl)-96546-96-2DTXSID20242309RefChem:216941DTXCID701648005-{[(2-ethylquinazolin-4-yl)oxy]methyl}-3-{[4-(4-methylphenyl)piperazin-1-yl]methyl}-1,3,4-oxadiazole-2(3H)-thione
Database identifiers
- CAS
96546-96-2- PubChem CID
- 57099
- DTXSID
DTXSID20242309
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 98.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 722
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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