Basic information
- CAS
96547-01-2- Standard SMILES
CCCc1nc(OCc2nn(CN3CCN(c4ccc(C)cc4)CC3)c(=S)o2)c2ccccc2n1- InChIKey
FZUJDEIAHOXZOU-UHFFFAOYSA-N- Molecular formula
- C26H30N6O2S
- Average molar mass
- 490.6 g/mol
- Monoisotopic mass
- 490.21509539
Names & identifiers
- Preferred name
- 1,3,4-Oxadiazole-2(3H)-thione, 3-((4-(4-methylphenyl)-1-piperazinyl)methyl)-5-(((2-propyl-4-quinazolinyl)oxy)methyl)-
- IUPAC
- 3-[[4-(4-methylphenyl)piperazin-1-yl]methyl]-5-[(2-propylquinazolin-4-yl)oxymethyl]-1,3,4-oxadiazole-2-thione
Names & synonyms
BRN 56774411,3,4-Oxadiazole-2(3H)-thione, 3-((4-(4-methylphenyl)-1-piperazinyl)methyl)-5-(((2-propyl-4-quinazolinyl)oxy)methyl)-96547-01-2DTXSID70242314RefChem:216934DTXCID701648053-{[4-(4-Methylphenyl)piperazin-1-yl]methyl}-5-{[(2-propylquinazolin-4-yl)oxy]methyl}-1,3,4-oxadiazole-2(3H)-thione
Database identifiers
- CAS
96547-01-2- PubChem CID
- 57103
- DTXSID
DTXSID70242314
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 98.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 737
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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