N-[[(4aR,8aS,9aS,10aR)-10-[(4-methylphenyl)sulfonylhydrazinylidene]-1,4,4a,5,8,8a,9a,10a-octahydroanthracen-9-ylidene]amino]-4-methylbenzenesulfonamide
Basic information
- CAS
72284-68-5- Standard SMILES
Cc1ccc(S(=O)(=O)NN=C2[C@H]3CC=CC[C@H]3C(=NNS(=O)(=O)c3ccc(C)cc3)[C@@H]3CC=CC[C@H]23)cc1- InChIKey
JWLBJYRHQFHKIF-YOXCBORPSA-N- Molecular formula
- C28H32N4O4S2
- Average molar mass
- 552.7 g/mol
- Monoisotopic mass
- 552.18649786
Names & identifiers
- Preferred name
- N-[[(4aR,8aS,9aS,10aR)-10-[(4-methylphenyl)sulfonylhydrazinylidene]-1,4,4a,5,8,8a,9a,10a-octahydroanthracen-9-ylidene]amino]-4-methylbenzenesulfonamide
- IUPAC
- N-[[(4aR,8aS,9aS,10aR)-10-[(4-methylphenyl)sulfonylhydrazinylidene]-1,4,4a,5,8,8a,9a,10a-octahydroanthracen-9-ylidene]amino]-4-methylbenzenesulfonamide
Names & synonyms
NSC34246572284-68-5DTXSID10319236NSC-342465N',N''-[(4aR,8aS,9aS,10aR)-1,4,4a,5,8,8a,9a,10a-Octahydroanthracene-9,10-diylidene]bis(4-methylbenzene-1-sulfonohydrazide)
Database identifiers
- CAS
72284-68-5- PubChem CID
- 334946
- DTXSID
DTXSID10319236
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 1,050
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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