5-(3-bromo-propoxy)-2-(1-tert-butoxycarbonyl-1H-thieno[3,2-c]pyrazol-3-yl)-indole-1-carboxylic acid tert-butyl ester
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Basic information
- Standard SMILES
CC(C)(C)OC(=O)n1nc(-c2cc3cc(OCCCBr)ccc3n2C(=O)OC(C)(C)C)c2sccc21- InChIKey
QSLQXVCMWOIVRS-UHFFFAOYSA-N- Molecular formula
- C26H30BrN3O5S
- Average molar mass
- 576.5 g/mol
- Monoisotopic mass
- 575.10895
Names & identifiers
- Preferred name
- 5-(3-bromo-propoxy)-2-(1-tert-butoxycarbonyl-1H-thieno[3,2-c]pyrazol-3-yl)-indole-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 3-[5-(3-bromopropoxy)-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]thieno[3,2-c]pyrazole-1-carboxylate
Names & synonyms
SCHEMBL1622132QSLQXVCMWOIVRS-UHFFFAOYSA-N5-(3-bromo-propoxy)-2-(1-tert-butoxycarbonyl-1H-thieno[3,2-c]pyrazol-3-yl)-indole-1-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 57637331
Properties
Computed structural propertiesFilling in
- XLogP
- 6.7
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 803
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Related reactions
3 records
Compound notes
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