2-Oxo-2-(tricyclo[3.3.1.13,7]dec-1-ylamino)ethyl 5-[(diethylamino)sulfonyl]-2-hydroxybenzoate

HCID 5113069

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 390820-03-8
Standard SMILES: CCN(CC)S(=O)(=O)c1ccc(O)c(C(=O)OCC(=O)NC23CC4CC(CC(C4)C2)C3)c1
InChIKey: GIDWPXBHNJVHFY-UHFFFAOYSA-N
Molecular formula: C23H32N2O6S
Average molar mass: 464.6 g/mol
Monoisotopic mass: 464.19810792

Names & identifiers

Preferred name: 2-Oxo-2-(tricyclo[3.3.1.13,7]dec-1-ylamino)ethyl 5-[(diethylamino)sulfonyl]-2-hydroxybenzoate
IUPAC: [2-(1-adamantylamino)-2-oxoethyl] 5-(diethylsulfamoyl)-2-hydroxybenzoate

Names & synonyms

2-Oxo-2-(tricyclo[3.3.1.13,7]dec-1-ylamino)ethyl 5-[(diethylamino)sulfonyl]-2-hydroxybenzoate390820-03-82-Oxo-2-(tricyclo(3.3.1.13,7)dec-1-ylamino)ethyl 5-((diethylamino)sulfonyl)-2-hydroxybenzoateRefChem:264852Oprea1_240267MLS002246528CHEMBL1873693DTXSID501118982HMS1782L19HMS3084C14AKOS034462886SMR001310139

Show more names

Z568732492-[(Adamantan-1-yl)amino]-2-oxoethyl 5-(diethylsulfamoyl)-2-hydroxybenzoate

Database identifiers

CAS: 390820-03-8
PubChem CID: 5113069
DTXSID: DTXSID501118982
ChEMBL: CHEMBL1873693

Properties

Computed structural properties

XLogP: 3.9
Topological polar surface area: 121 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 7
Rotatable bonds: 9
Heavy atoms: 32
Formal charge: 0
Complexity: 778

Experimental & physicochemical properties

Solubility25.5 [ug/mL] (The mean of the results at pH 7.4)

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…