ethyl 2-amino-1'-methyl-2',5-dioxospiro[7,8-dihydro-6H-chromene-4,3'-indole]-3-carboxylate
Basic information
- CAS
445222-67-3- Standard SMILES
CCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)C12C(=O)N(C)c1ccccc12- InChIKey
UJSKLQLSJMAKRZ-UHFFFAOYSA-N- Molecular formula
- C20H20N2O5
- Average molar mass
- 368.4 g/mol
- Monoisotopic mass
- 368.13722174
Names & identifiers
- Preferred name
- ethyl 2-amino-1'-methyl-2',5-dioxospiro[7,8-dihydro-6H-chromene-4,3'-indole]-3-carboxylate
- IUPAC
- ethyl 2-amino-1'-methyl-2',5-dioxospiro[7,8-dihydro-6H-chromene-4,3'-indole]-3-carboxylate
- English name
- ethyl 2-amino-1'-methyl-2',5-dioxo-1',3',5,6,7,8-hexahydro-spiro[4H-chromene-4,3'-(2'H)-indole]-3-carboxylate
- Molecular formula
- C20H20N2O5
- Molecular weight
- 368.38
Names & synonyms
445222-67-3ethyl 2-amino-1'-methyl-2',5-dioxospiro[7,8-dihydro-6H-chromene-4,3'-indole]-3-carboxylateethyl 2-amino-1'-methyl-2',5-dioxo-1',2',5,6,7,8-hexahydrospiro[chromene-4,3'-indole]-3-carboxylateOprea1_377396MLS000767618CHEMBL1548194DTXSID201331525HMS2797A03STK729719AKOS003098197AKOS016235074SMR000429941
Show more names
Spiro[4H-1-benzopyran-4,3'-[3H]indole]-3-carboxylic acid, 2-amino-1',2',5,6,7,8-hexahydro-1'-methyl-2',5-dioxo-, ethyl ester
AK-777/14666008Ethyl 2-amino-1'-methyl-2',5-dioxo-1',2',5,6,7,8-hexahydrospiro[[1]benzopyran-4,3'-indole]-3-carboxylateethyl 2-amino-1'-methyl-2',5-dioxo-1',3',5,6,7,8-hexahydro-spiro[4H-chromene-4,3'-(2'H)-indole]-3-carboxylateethyl 2-amino-1'-methyl-2',5-dioxo-5,6,7,8-tetrahydrospiro[chromene-4,3'-indoline]-3-carboxylateethyl-2-amino-1'-methyl-2',5-dioxo-5,6,7,8-tetrahydrospiro[chromene-4,3'-indoline]-3-carboxylate
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 98.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 783
Experimental & physicochemical properties
Solubility29.1 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 289 · 289-291 °C
- Boiling point
- 669.2 · 669.2±55.0 °C(Predicted)
- Density
- 1.4 · 1.40±0.1 g/cm3(Predicted)
- pka
- 2.67 · 2.67±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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