Basic information
- Standard SMILES
CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(N3CCC(NC[C@H](O)COc4ccc(O)c5c4CCC(=O)N5)CC3)cc2)cc1- InChIKey
KDGOREFGKFJGTM-VWLOTQADSA-N- Molecular formula
- C31H37N5O7S
- Average molar mass
- 623.7 g/mol
Names & identifiers
- Preferred name
- N-[4-({4-[4-({(2S)-2-Hydroxy-3-[(8-hydroxy-2-oxo-1,2,3,4-tetrahydro-5-quinolinyl)oxy]propyl}amino)-1-piperidineyl]anilino}sulfonyl)phenyl]acetamide
- IUPAC
- N-[4-[[4-[4-[[(2S)-2-hydroxy-3-[(8-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]propyl]amino]piperidin-1-yl]phenyl]sulfamoyl]phenyl]acetamide
Names & synonyms
SCHEMBL6075017KDGOREFGKFJGTM-VWLOTQADSA-NN-[4-({4-[4-({(2S)-2-Hydroxy-3-[(8-hydroxy-2-oxo-1,2,3,4-tetrahydro-5-quinolinyl)oxy]propyl}amino)-1-piperidineyl]anilino}sulfonyl)phenyl]acetamideN-[4-({4-[4-({(2S)-2-Hydroxy-3-[(8-hydroxy-2-oxo-1,2,3,4-tetrahydro-5-quinolinyl)oxy]propyl}amino)-1-piperidinyl]anilino}sulfonyl)phenyl]acetamide
Database identifiers
- PubChem CID
- 21021939
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 178 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 11
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 1,050
Related reactions
1 records
Compound notes
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