1,3,4-Oxadiazole-2(3H)-thione, 3-(1-piperidinylmethyl)-5-(((2-propyl-4-quinazolinyl)oxy)methyl)-
Basic information
- CAS
96546-98-4- Standard SMILES
CCCc1nc(OCc2nn(CN3CCCCC3)c(=S)o2)c2ccccc2n1- InChIKey
PJDRGJBWUANDBU-UHFFFAOYSA-N- Molecular formula
- C20H25N5O2S
- Average molar mass
- 399.5 g/mol
- Monoisotopic mass
- 399.17289623
Names & identifiers
- Preferred name
- 1,3,4-Oxadiazole-2(3H)-thione, 3-(1-piperidinylmethyl)-5-(((2-propyl-4-quinazolinyl)oxy)methyl)-
- IUPAC
- 3-(piperidin-1-ylmethyl)-5-[(2-propylquinazolin-4-yl)oxymethyl]-1,3,4-oxadiazole-2-thione
Names & synonyms
BRN 56519221,3,4-Oxadiazole-2(3H)-thione, 3-(1-piperidinylmethyl)-5-(((2-propyl-4-quinazolinyl)oxy)methyl)-96546-98-4DTXSID902423113-(1-Piperidinylmethyl)-5-(((2-propyl-4-quinazolinyl)oxy)methyl)-1,3,4-oxadiazole-2(3H)-thioneRefChem:216938DTXCID901648023-[(Piperidin-1-yl)methyl]-5-{[(2-propylquinazolin-4-yl)oxy]methyl}-1,3,4-oxadiazole-2(3H)-thione
Database identifiers
- CAS
96546-98-4- PubChem CID
- 57101
- DTXSID
DTXSID90242311
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 95.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 569
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Compound notes
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