Acetic acid, dichloro-, 1-ester with N-(2,3,5,8-tetrahydro-1-hydroxy-9-(hydroxymethyl)-7-methoxy-6-methyl-5,8-dioxo-1H-pyrrolo(1,2-a)indol-2-yl)acetamide carbamate (ester)
Basic information
- CAS
26129-04-4- Standard SMILES
COC1=C(C)C(=O)c2c(c(COC(N)=O)c3n2CC(NC(C)=O)C3OC(=O)C(Cl)Cl)C1=O- InChIKey
VTHSYLBEIRDEGT-UHFFFAOYSA-N- Molecular formula
- C19H19Cl2N3O8
- Average molar mass
- 488.3 g/mol
- Monoisotopic mass
- 487.05492
Names & identifiers
- Preferred name
- Acetic acid, dichloro-, 1-ester with N-(2,3,5,8-tetrahydro-1-hydroxy-9-(hydroxymethyl)-7-methoxy-6-methyl-5,8-dioxo-1H-pyrrolo(1,2-a)indol-2-yl)acetamide carbamate (ester)
- IUPAC
- [2-acetamido-4-(carbamoyloxymethyl)-6-methoxy-7-methyl-5,8-dioxo-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl] 2,2-dichloroacetate
Names & synonyms
26129-04-4Acetic acid, dichloro-, 1-ester with N-(2,3,5,8-tetrahydro-1-hydroxy-9-(hydroxymethyl)-7-methoxy-6-methyl-5,8-dioxo-1H-pyrrolo(1,2-a)indol-2-yl)acetamide carbamate (ester)DTXSID30949014N-(1-[(Dichloroacetyl)oxy]-9-{[hydroxy(imino)methoxy]methyl}-7-methoxy-6-methyl-5,8-dioxo-2,3,5,8-tetrahydro-1H-pyrrolo[1,2-a]indol-2-yl)ethanimidic acid
Database identifiers
- CAS
26129-04-4- PubChem CID
- 213314
- DTXSID
DTXSID30949014
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 156 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 892
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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