[8a-Methoxy-5-methyl-6-(3-methylbutoxy)-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
76079-87-3- Standard SMILES
CO[C@]12C3NC3CN1C1=C(C(=O)C(OCCC(C)C)=C(C)C1=O)[C@H]2COC(N)=O- InChIKey
UPNBGVUKCAAEMH-WXRBLJGGSA-N- Molecular formula
- C20H27N3O6
- Average molar mass
- 405.4 g/mol
- Monoisotopic mass
- 405.18998559
Names & identifiers
- Preferred name
- [8a-Methoxy-5-methyl-6-(3-methylbutoxy)-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-(3-methylbutoxy)-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate
Names & synonyms
DTXSID80997409[(8S,8aR)-8a-Methoxy-5-methyl-6-(3-methylbutoxy)-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-(3-methylbutoxy)-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
76079-87-3- PubChem CID
- 53436
- DTXSID
DTXSID80997409
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 847
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Compound notes
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