Basic information
- Standard SMILES
COc1ccc(CNc2nnc(-c3ccc4c(c3)c(I)cn4S(=O)(=O)c3ccc(C)cc3)s2)cc1- InChIKey
UATKRJDQQGXKIG-UHFFFAOYSA-N- Molecular formula
- C25H21IN4O3S2
- Average molar mass
- 616.5 g/mol
Names & identifiers
- Preferred name
- 5-(3-iodo-1-tosyl-1H-indol-5-yl)-N-(4-methoxybenzyl)-1,3,4-thiadiazol-2-amine
- IUPAC
- 5-[3-iodo-1-(4-methylphenyl)sulfonylindol-5-yl]-N-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-amine
Names & synonyms
SCHEMBL12615961UATKRJDQQGXKIG-UHFFFAOYSA-N5-(3-iodo-1-tosyl-1H-indol-5-yl)-N-(4-methoxybenzyl)-1,3,4-thiadiazol-2-amine
Database identifiers
- PubChem CID
- 68328592
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 799
Related reactions
6 records
Compound notes
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