[6-Amino-1-(4-chlorobenzoyl)-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 carbonimidate
Basic information
- CAS
14719-02-9- Standard SMILES
CO[C@]12C3C(CN1C1=C(C(=O)C(N)=C(C)C1=O)[C@H]2COC(N)=O)N3C(=O)c1ccc(Cl)cc1- InChIKey
IEODXZXRDPARKL-BGYQIFAQSA-N- Molecular formula
- C22H21ClN4O6
- Average molar mass
- 472.9 g/mol
- Monoisotopic mass
- 472.1149621
Names & identifiers
- Preferred name
- [6-Amino-1-(4-chlorobenzoyl)-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 carbonimidate
- IUPAC
- [(7R,8S)-11-amino-5-(4-chlorobenzoyl)-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
DTXSID30933054[(8S,8aR)-6-Amino-1-(4-chlorobenzoyl)-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[6-Amino-1-(4-chlorobenzoyl)-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 carbonimidate
Database identifiers
- CAS
14719-02-9- PubChem CID
- 26838
- DTXSID
DTXSID30933054
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 145 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 1,030
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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