Basic information
- CAS
96546-95-1- Standard SMILES
CCc1nc(OCc2nn(CN3CCN(c4ccccc4)CC3)c(=S)o2)c2ccccc2n1- InChIKey
XLJPODLMAPHDQO-UHFFFAOYSA-N- Molecular formula
- C24H26N6O2S
- Average molar mass
- 462.6 g/mol
- Monoisotopic mass
- 462.18379527
Names & identifiers
- Preferred name
- 1,3,4-Oxadiazole-2(3H)-thione, 5-(((2-ethyl-4-quinazolinyl)oxy)methyl)-3-((4-phenyl-1-piperazinyl)methyl)-
- IUPAC
- 5-[(2-ethylquinazolin-4-yl)oxymethyl]-3-[(4-phenylpiperazin-1-yl)methyl]-1,3,4-oxadiazole-2-thione
Names & synonyms
BRN 56722411,3,4-Oxadiazole-2(3H)-thione, 5-(((2-ethyl-4-quinazolinyl)oxy)methyl)-3-((4-phenyl-1-piperazinyl)methyl)-96546-95-1RefChem:216943DTXSID309144695-{[(2-Ethylquinazolin-4-yl)oxy]methyl}-3-[(4-phenylpiperazin-1-yl)methyl]-1,3,4-oxadiazole-2(3H)-thione
Database identifiers
- CAS
96546-95-1- PubChem CID
- 57098
- DTXSID
DTXSID30914469
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 98.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 694
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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