Basic information
- CAS
41414-82-8- Standard SMILES
O=C(c1ccccc1)N1CC1(c1ccccc1)C1(c2ccccc2)SCCCS1- InChIKey
MYPZANMMLGMEDY-UHFFFAOYSA-N- Molecular formula
- C25H23NOS2
- Average molar mass
- 417.6 g/mol
- Monoisotopic mass
- 417.1221067
Names & identifiers
- Preferred name
- Phenyl-[2-phenyl-2-(2-phenyl-1,3-dithian-2-yl)aziridin-1-yl]methanone
- IUPAC
- phenyl-[2-phenyl-2-(2-phenyl-1,3-dithian-2-yl)aziridin-1-yl]methanone
Names & synonyms
41414-82-81-benzoyl-2-phenyl-2-(2-phenyl-1,3-dithian-2-yl)aziridineNSC167295phenyl-[2-phenyl-2-(2-phenyl-1,3-dithian-2-yl)aziridin-1-yl]methanoneDTXSID90329873NSC-167295AE-477/13519463Phenyl[2-phenyl-2-(2-phenyl-1,3-dithian-2-yl)aziridin-1-yl]methanone
Database identifiers
- CAS
41414-82-8- PubChem CID
- 424658
- DTXSID
DTXSID90329873
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 70.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 571
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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