[(8S,8aR)-6-(Aziridin-1-yl)-8a-methoxy-5-methyl-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
Basic information
- CAS
13164-87-9- Standard SMILES
CO[C@]12C3NC3CN1C1=C(C(=O)C(N3CC3)=C(C)C1=O)[C@H]2COC(N)=O- InChIKey
FKJOSOXAGBHNJN-QNTWZPOASA-N- Molecular formula
- C17H20N4O5
- Average molar mass
- 360.4 g/mol
- Monoisotopic mass
- 360.14336975
Names & identifiers
- Preferred name
- [(8S,8aR)-6-(Aziridin-1-yl)-8a-methoxy-5-methyl-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
- IUPAC
- [(7R,8S)-11-(aziridin-1-yl)-7-methoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate
Names & synonyms
DTXSID80927302[6-(Aziridin-1-yl)-8a-methoxy-5-methyl-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 carbonimidate13164-87-9[(8S,8aR)-6-(Aziridin-1-yl)-8a-methoxy-5-methyl-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
Database identifiers
- CAS
13164-87-9- PubChem CID
- 20070
- DTXSID
DTXSID80927302
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 829
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Compound notes
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