Basic information
- CAS
123392-14-3- Standard SMILES
Cc1cc(SCCCCCSc2cc(C)nc(N3CCOCC3)n2)nc(N2CCOCC2)n1- InChIKey
ZUPWHLAGRMZUAR-UHFFFAOYSA-N- Molecular formula
- C23H34N6O2S2
- Average molar mass
- 490.7 g/mol
- Monoisotopic mass
- 490.2184667
Names & identifiers
- Preferred name
- Morpholine, 4,4'-(1,5-pentanediylbis(thio(6-methyl-2,4-pyrimidinediyl)))bis-
- IUPAC
- 4-[4-methyl-6-[5-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)sulfanylpentylsulfanyl]pyrimidin-2-yl]morpholine
Names & synonyms
BRN 4217679Morpholine, 4,4'-(1,5-pentanediylbis(thio(6-methyl-2,4-pyrimidinediyl)))bis-123392-14-31,5-Bis(4-morpholinyl-6-methylpyrimidin-2-yl)-1,5-pentanedithiol4,4'-(1,5-Pentanediylbis(thio(6-methyl-2,4-pyrimidinediyl)))dimorpholineDTXSID30154000RefChem:357520DTXCID20764914,4'-{Pentane-1,5-diylbis[sulfanediyl(6-methylpyrimidine-4,2-diyl)]}bis(morpholine)
Database identifiers
- CAS
123392-14-3- PubChem CID
- 3078956
- DTXSID
DTXSID30154000
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 10
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 507
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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