Basic information
- Standard SMILES
CC1(Nc2c([N+](=O)[O-])cnc3c2ccn3S(=O)(=O)c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1- InChIKey
YCYSMWZUYNYDJS-UHFFFAOYSA-N- Molecular formula
- C24H29N5O6S
- Average molar mass
- 515.6 g/mol
Names & identifiers
- Preferred name
- 4-(1-benzenesulfonyl-5-nitro-1H-pyrrolo[2,3-b]pyridin-4-ylamino)-4-methyl-piperidine-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 4-[[1-(benzenesulfonyl)-5-nitropyrrolo[2,3-b]pyridin-4-yl]amino]-4-methylpiperidine-1-carboxylate
Names & synonyms
SCHEMBL2277195YCYSMWZUYNYDJS-UHFFFAOYSA-N4-(1-benzenesulfonyl-5-nitro-1H-pyrrolo[2,3-b]pyridin-4-ylamino)-4-methyl-piperidine-1-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 67344958
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 148 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 913
Related reactions
2 records
Compound notes
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