[8a-Methoxy-5-methyl-6-(octyloxy)-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-yl]methyl hydrogen carbonimidate
Basic information
- CAS
76079-88-4- Standard SMILES
CCCCCCCCOC1=C(C)C(=O)C2=C(C1=O)[C@@H](COC(N)=O)[C@@]1(OC)C3NC3CN21- InChIKey
GEMIIFLGMHAMLT-LQZOQRGCSA-N- Molecular formula
- C23H33N3O6
- Average molar mass
- 447.5 g/mol
- Monoisotopic mass
- 447.23693578
Names & identifiers
- Preferred name
- [8a-Methoxy-5-methyl-6-(octyloxy)-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-yl]methyl hydrogen carbonimidate
- IUPAC
- [(7R,8S)-7-methoxy-12-methyl-11-octoxy-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate
Names & synonyms
DTXSID90997410[(8S,8aR)-8a-Methoxy-5-methyl-6-(octyloxy)-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazirino[2',3':3,4]pyrrolo[1,2-a]indol-8-yl]methyl hydrogen carbonimidate[8a-Methoxy-5-methyl-6-(octyloxy)-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-yl]methyl hydrogen carbonimidate
Database identifiers
- CAS
76079-88-4- PubChem CID
- 53437
- DTXSID
DTXSID90997410
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 12
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 881
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Compound notes
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