Basic information
- Standard SMILES
CCOC(=O)C1Cc2cc(OCCOC)cc(N(C3CC3)S(=O)(=O)c3ccccn3)c2N1C(=O)OC(C)(C)C- InChIKey
MERIILBPVUWLDJ-UHFFFAOYSA-N- Molecular formula
- C27H35N3O8S
- Average molar mass
- 561.6 g/mol
Names & identifiers
- Preferred name
- 1-Tert-butyl 2-ethyl 7-[cyclopropyl(pyridin-2-ylsulfonyl)amino]-5-(2-methoxyethoxy)indoline-1,2-dicarboxylate
- IUPAC
- 1-O-tert-butyl 2-O-ethyl 7-[cyclopropyl(pyridin-2-ylsulfonyl)amino]-5-(2-methoxyethoxy)-2,3-dihydroindole-1,2-dicarboxylate
Names & synonyms
SCHEMBL2655082MERIILBPVUWLDJ-UHFFFAOYSA-N1-tert-butyl 2-ethyl 7-[cyclopropyl(pyridin-2-ylsulfonyl)amino]-5-(2-methoxyethoxy)indoline-1,2-dicarboxylate
Database identifiers
- PubChem CID
- 59136016
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 13
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 961
Related reactions
10 records
Compound notes
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