Basic information
- CAS
67658-66-6- Standard SMILES
CN1C[C@H](CNS(=O)(=O)N2CCOCC2)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21- InChIKey
JOWCPBGVKXZDSS-POZUXBRTSA-N- Molecular formula
- C20H28N4O3S
- Average molar mass
- 404.5 g/mol
- Monoisotopic mass
- 404.18821194
Names & identifiers
- Preferred name
- 4-Morpholinesulfonamide, N-(((8-beta)-6-methylergolin-8-yl)methyl)-
- IUPAC
- N-[[(6aR,9R,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]morpholine-4-sulfonamide
Names & synonyms
4-Morpholinesulfonamide, N-(((8-beta)-6-methylergolin-8-yl)methyl)-1-(6-Methyl-8-beta-ergolenylmethyl)-3-morpholinosulfonamide67658-66-6DTXSID60217975N-(((8-beta)-6-Methylergolin-8-yl)methyl)-4-morpholinesulfonamideRefChem:294939DTXCID10140466N-[(6-Methylergolin-8beta-yl)methyl]morpholine-4-sulfonamide
Database identifiers
- CAS
67658-66-6- PubChem CID
- 3051694
- DTXSID
DTXSID60217975
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 86.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 663
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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