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Basic information
- Standard SMILES
CC(C)(C)OC(=O)Nc1cnc2[nH]c(C(CC3CCCC3)c3ccc(S(C)(=O)=O)cc3)cc2c1- InChIKey
YCVZDRVIZSCVRK-UHFFFAOYSA-N- Molecular formula
- C26H33N3O4S
- Average molar mass
- 483.6 g/mol
Names & identifiers
- Preferred name
- {2-[2-cyclopentyl-1-(4-methanesulfonyl-phenyl)-ethyl]-1H-pyrrolo[2,3-b]pyridin-5-yl}-carbamic acid tert-butyl ester
- IUPAC
- tert-butyl N-[2-[2-cyclopentyl-1-(4-methylsulfonylphenyl)ethyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]carbamate
Names & synonyms
SCHEMBL1962376YCVZDRVIZSCVRK-UHFFFAOYSA-N{2-[2-cyclopentyl-1-(4-methanesulfonyl-phenyl)-ethyl]-1H-pyrrolo[2,3-b]pyridin-5-yl}-carbamic acid tert-butyl ester
Database identifiers
- PubChem CID
- 67229155
Properties
Computed structural propertiesFilling in
- XLogP
- 5.4
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 792
Related reactions
3 records
Compound notes
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