Basic information
- Standard SMILES
CC(C)(C)c1ccc(S(=O)(=O)N(CC(=O)N(CCCO)Cc2ccccn2)c2ccc3ncccc3c2)cc1- InChIKey
RICYAYQCKHNELU-UHFFFAOYSA-N- Molecular formula
- C30H34N4O4S
- Average molar mass
- 546.7 g/mol
Names & identifiers
- Preferred name
- 2-[(4-tert-Butyl-benzenesulfonyl)-quinolin-6-yl-amino]-N-(3-hydroxy-propyl)-N-pyridin-2-ylmethyl-acetamide
- IUPAC
- 2-[(4-tert-butylphenyl)sulfonyl-quinolin-6-ylamino]-N-(3-hydroxypropyl)-N-(pyridin-2-ylmethyl)acetamide
Names & synonyms
SCHEMBL1039027RICYAYQCKHNELU-UHFFFAOYSA-N2-[(4-tert-Butyl-benzenesulfonyl)-quinolin-6-yl-amino]-N-(3-hydroxy-propyl)-N-pyridin-2-ylmethyl-acetamide
Database identifiers
- PubChem CID
- 58978352
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 878
Related reactions
2 records
Compound notes
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