3-{5-[(cyclohexylmethyl-amino)-methyl]-1H-indol-2-yl}-thieno[3,2-c]pyrazole-1-carboxylic acid tert-butyl ester
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Basic information
- Standard SMILES
CC(C)(C)OC(=O)n1nc(-c2cc3cc(CNCC4CCCCC4)ccc3[nH]2)c2sccc21- InChIKey
FDACIOXGQWAKPP-UHFFFAOYSA-N- Molecular formula
- C26H32N4O2S
- Average molar mass
- 464.6 g/mol
Names & identifiers
- Preferred name
- 3-{5-[(cyclohexylmethyl-amino)-methyl]-1H-indol-2-yl}-thieno[3,2-c]pyrazole-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 3-[5-[(cyclohexylmethylamino)methyl]-1H-indol-2-yl]thieno[3,2-c]pyrazole-1-carboxylate
Names & synonyms
SCHEMBL1623101FDACIOXGQWAKPP-UHFFFAOYSA-N3-{5-[(cyclohexylmethyl-amino)-methyl]-1H-indol-2-yl}-thieno[3,2-c]pyrazole-1-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 136366780
Properties
Computed structural propertiesFilling in
- XLogP
- 6.2
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 680
Related reactions
2 records
Compound notes
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