Basic information
- CAS
96546-97-3- Standard SMILES
CCCc1nc(OCc2nn(CN3CCOCC3)c(=S)o2)c2ccccc2n1- InChIKey
MAGXSAMLLDMNOT-UHFFFAOYSA-N- Molecular formula
- C19H23N5O3S
- Average molar mass
- 401.5 g/mol
- Monoisotopic mass
- 401.15216079
Names & identifiers
- Preferred name
- 1,3,4-Oxadiazole-2(3H)-thione, 3-(4-morpholinylmethyl)-5-(((2-propyl-4-quinazolinyl)oxy)methyl)-
- IUPAC
- 3-(morpholin-4-ylmethyl)-5-[(2-propylquinazolin-4-yl)oxymethyl]-1,3,4-oxadiazole-2-thione
Names & synonyms
BRN 56552951,3,4-Oxadiazole-2(3H)-thione, 3-(4-morpholinylmethyl)-5-(((2-propyl-4-quinazolinyl)oxy)methyl)-96546-97-3DTXSID302423103-(4-Morpholinylmethyl)-5-(((2-propyl-4-quinazolinyl)oxy)methyl)-1,3,4-oxadiazole-2(3H)-thioneRefChem:216939DTXCID301648013-[(Morpholin-4-yl)methyl]-5-{[(2-propylquinazolin-4-yl)oxy]methyl}-1,3,4-oxadiazole-2(3H)-thione
Database identifiers
- CAS
96546-97-3- PubChem CID
- 57100
- DTXSID
DTXSID30242310
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 572
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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