1,1-dimethylethyl 4-[4-bromo-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-1(2H)-pyridinecarboxylate
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Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CC=C(c2cc3c(Br)ccnc3n2S(=O)(=O)c2ccccc2)CC1- InChIKey
HXCDOKHOBCCCGJ-UHFFFAOYSA-N- Molecular formula
- C23H24BrN3O4S
- Average molar mass
- 518.4 g/mol
- Monoisotopic mass
- 517.06709
Names & identifiers
- Preferred name
- 1,1-dimethylethyl 4-[4-bromo-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-1(2H)-pyridinecarboxylate
- IUPAC
- tert-butyl 4-[1-(benzenesulfonyl)-4-bromopyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
Names & synonyms
SCHEMBL4318186HXCDOKHOBCCCGJ-UHFFFAOYSA-NDB-1738681,1-dimethylethyl 4-[4-bromo-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-1 (2H)-pyridinecarboxylate1,1-dimethylethyl 4-[4-bromo-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-1(2H)-pyridinecarboxylate942920-20-9Tert-butyl 4-(4-bromo-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-2-yl)-3,6-dihydropyridine-1(2h)-carboxylatetert-butyl 4-(4-bromo-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-2-yl)-5,6-dihydropyridine-1(2H)-carboxylate
Database identifiers
- PubChem CID
- 69001059
Properties
Computed structural propertiesFilling in
- XLogP
- 4.3
- Topological polar surface area
- 89.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 829
Related reactions
6 records
Compound notes
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