Basic information
- Standard SMILES
COc1ccc(CN(c2ncns2)S(=O)(=O)c2ccc3c(-c4cccc5c4CN(C(=O)OC(C)(C)C)CC5)cn(C)c3c2)c(OC)c1- InChIKey
QLWHDGNPYITIDE-UHFFFAOYSA-N- Molecular formula
- C34H37N5O6S2
- Average molar mass
- 675.8 g/mol
- Monoisotopic mass
- 675.21852626
Names & identifiers
- Preferred name
- tert-butyl 8-(6-(N-(2,4-dimethoxybenzyl)-N-(1,2,4-thiadiazol-5-yl)sulfamoyl)-1-methyl-1H-indol-3-yl)-3,4-dihydroisoquinoline-2(1H)-carboxylate
- IUPAC
- tert-butyl 8-[6-[(2,4-dimethoxyphenyl)methyl-(1,2,4-thiadiazol-5-yl)sulfamoyl]-1-methylindol-3-yl]-3,4-dihydro-1H-isoquinoline-2-carboxylate
Names & synonyms
SCHEMBL14698820QLWHDGNPYITIDE-UHFFFAOYSA-Ntert-butyl 8-(6-(N-(2,4-dimethoxybenzyl)-N-(1,2,4-thiadiazol-5-yl)sulfamoyl)-1-methyl-1H-indol-3-yl)-3,4-dihydroisoquinoline-2(1H)-carboxylate
Database identifiers
- PubChem CID
- 71259294
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 153 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 10
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 1,180
Related reactions
2 records
Compound notes
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