[6-(Cyclohexylamino)-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
16046-17-6- Standard SMILES
COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(NC4CCCCC4)C3=O)N1CC1NC12- InChIKey
GYYLOQIVQSFTMF-UHFFFAOYSA-N- Molecular formula
- C21H28N4O5
- Average molar mass
- 416.5 g/mol
- Monoisotopic mass
- 416.20597001
Names & identifiers
- Preferred name
- [6-(Cyclohexylamino)-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
- [11-(cyclohexylamino)-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
DTXSID10936301[6-(Cyclohexylamino)-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 carbonimidate16046-17-6[6-(Cyclohexylamino)-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
16046-17-6- PubChem CID
- 205659
- DTXSID
DTXSID10936301
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 890
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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