tert-butyl 2-(2-benzenesulfonamido-2,3-dihydro-1H-inden-5-yl)-6-methoxy-1H-indole-1-carboxylate

HCID 25190824

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Basic information

CAS: 944707-73-7
Standard SMILES: COc1ccc2cc(-c3ccc4c(c3)CC(NS(=O)(=O)c3ccccc3)C4)n(C(=O)OC(C)(C)C)c2c1
InChIKey: BGFSCEOUOQETMV-UHFFFAOYSA-N
Molecular formula: C29H30N2O5S
Average molar mass: 518.6 g/mol
Monoisotopic mass: 518.18754324

Names & identifiers

Preferred name: tert-butyl 2-(2-benzenesulfonamido-2,3-dihydro-1H-inden-5-yl)-6-methoxy-1H-indole-1-carboxylate
IUPAC: tert-butyl 2-[2-(benzenesulfonamido)-2,3-dihydro-1H-inden-5-yl]-6-methoxyindole-1-carboxylate

Names & synonyms

indole derivative, 1jCHEMBL428051BDBM27284DTXSID901109812944707-73-71,1-Dimethylethyl 2-[2,3-dihydro-2-[(phenylsulfonyl)amino]-1H-inden-5-yl]-6-methoxy-1H-indole-1-carboxylatetert-butyl 2-(2-benzenesulfonamido-2,3-dihydro-1H-inden-5-yl)-6-methoxy-1H-indole-1-carboxylate

Database identifiers

CAS: 944707-73-7
PubChem CID: 25190824
DTXSID: DTXSID901109812
ChEMBL: CHEMBL428051

Properties

Computed structural properties

XLogP: 5.9
Topological polar surface area: 95 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 7
Heavy atoms: 37
Formal charge: 0
Complexity: 906

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