Basic information
- Standard SMILES
CCOC(=O)Cc1ccc(NC(=O)C(COC2CCCCO2)NS(=O)(=O)c2ccc(Br)cc2)cc1- InChIKey
UUBUMPXACJXZLN-UHFFFAOYSA-N- Molecular formula
- C24H29BrN2O7S
- Average molar mass
- 569.5 g/mol
- Monoisotopic mass
- 568.08789
Names & identifiers
- Preferred name
- (RS)-2-(4-bromobenzenesulfonyl-amino)-N-(4-(ethoxycarbonylmethyl) phenyl)-3-(tetrahydro-pyran-2-yloxy)propanamide
- IUPAC
- ethyl 2-[4-[[2-[(4-bromophenyl)sulfonylamino]-3-(oxan-2-yloxy)propanoyl]amino]phenyl]acetate
Names & synonyms
SCHEMBL8839632UUBUMPXACJXZLN-UHFFFAOYSA-N(RS)-2-(4-bromobenzenesulfonyl-amino)-N-(4-(ethoxycarbonylmethyl) phenyl)-3-(tetrahydro-pyran-2-yloxy)propanamide
Database identifiers
- PubChem CID
- 19032913
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 12
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 775
Related reactions
2 records
Compound notes
Loading…