Basic information
- CAS
107933-32-4- Standard SMILES
Cc1ccc(S(=O)(=O)N2CCCCN(S(=O)(=O)c3ccc(C)cc3)c3ccccc3COCc3ccccc32)cc1- InChIKey
XBSLHVDTLLLOEL-UHFFFAOYSA-N- Molecular formula
- C32H34N2O5S2
- Average molar mass
- 590.8 g/mol
- Monoisotopic mass
- 590.19091454
Overview
MF C32-H34-N2-O5-S2
Names & identifiers
- Preferred name
- Corrigendum compound
- IUPAC
- 11,16-bis-(4-methylphenyl)sulfonyl-3-oxa-11,16-diazatricyclo[15.4.0.05,10]henicosa-1(21),5,7,9,17,19-hexaene
- English name
- corrigendum
- Molecular formula
- C32H34N2O5S2
- Molecular weight
- 590.75
Names & synonyms
107933-32-4Corrigendum compoundRefChem:128068CorrigendumDTXSID601483315,10-bis(4-methylbenzene-1-sulfonyl)-5,6,7,8,9,10,15,17-octahydrodibenzo[c,k][1,5,10]oxadiazacyclotridecineDibenz[c,k][1,5,10]oxadiazacyclotridecine, 5,6,7,8,9,10,15,17-octahydro-5,10-bis[(4-methylphenyl)sulfonyl]-
Database identifiers
- CAS
107933-32-4- PubChem CID
- 194752
- DTXSID
DTXSID60148331
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 941
Physicochemical properties
- Boiling point
- 750.3 · 750.3±70.0 °C(Predicted)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- pka
- -1.62 · -1.62±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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