cis-(3-phenoxyphenyl)methyl (1R,3S)-3-[(2S)-1-(1,3-dioxoisoindol-2-yl)-3,3-dimethylaziridin-2-yl]-2,2-dimethylcyclopropane-1-carboxylate
Basic information
- CAS
104576-66-1- Standard SMILES
CC1(C)[C@@H]([C@@H]2N(N3C(=O)c4ccccc4C3=O)C2(C)C)[C@H]1C(=O)OCc1cccc(Oc2ccccc2)c1- InChIKey
GEOMQJQPAIGQCX-YFYRTDRHSA-N- Molecular formula
- C31H30N2O5
- Average molar mass
- 510.6 g/mol
- Monoisotopic mass
- 510.21547206
Names & identifiers
- Preferred name
- cis-(3-phenoxyphenyl)methyl (1R,3S)-3-[(2S)-1-(1,3-dioxoisoindol-2-yl)-3,3-dimethylaziridin-2-yl]-2,2-dimethylcyclopropane-1-carboxylate
- IUPAC
- cis-(3-phenoxyphenyl)methyl (1R,3S)-3-[(2S)-1-(1,3-dioxoisoindol-2-yl)-3,3-dimethylaziridin-2-yl]-2,2-dimethylcyclopropane-1-carboxylate
Names & synonyms
104576-66-1DTXSID40909048(3-Phenoxyphenyl)methyl (1R,3S)-3-[(2S)-1-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3,3-dimethylaziridin-2-yl]-2,2-dimethylcyclopropane-1-carboxylate(3-Phenoxyphenyl)methyl 3-[1-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3,3-dimethylaziridin-2-yl]-2,2-dimethylcyclopropane-1-carboxylateCyclopropanecarboxylic acid, 3-(1-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-3,3-dimethyl-2-aziridinyl)-2,2-dimethyl-, (3-phenoxyphenyl)methyl ester, (1R-(1alpha,3beta(S*)))-
Database identifiers
- CAS
104576-66-1- PubChem CID
- 184337
- DTXSID
DTXSID40909048
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 75.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 932
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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