2-((1,1-Dimethyl-3-[3-(4-trifluoromethyl-phenyl)-benzo[d]isothiazol-6-yl]-prop-2-ynyl)-ethyl-amino)-ethanol

HCID 10137670
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Basic information

Standard SMILES
CCN(CCO)C(C)(C)C#Cc1ccc2c(-c3ccc(C(F)(F)F)cc3)nsc2c1
InChIKey
UAOFQHFGSPZGHT-UHFFFAOYSA-N
Molecular formula
C23H23F3N2OS
Average molar mass
432.5 g/mol

Names & identifiers

Preferred name
2-((1,1-Dimethyl-3-[3-(4-trifluoromethyl-phenyl)-benzo[d]isothiazol-6-yl]-prop-2-ynyl)-ethyl-amino)-ethanol
IUPAC
2-[ethyl-[2-methyl-4-[3-[4-(trifluoromethyl)phenyl]-1,2-benzothiazol-6-yl]but-3-yn-2-yl]amino]ethanol

Names & synonyms

2-((1,1-Dimethyl-3-[3-(4-trifluoromethyl-phenyl)-benzo[d]isothiazol-6-yl]-prop-2-ynyl)-ethyl-amino)-ethanolSCHEMBL5038808

Database identifiers

PubChem CID
10137670

Properties

Computed structural properties

XLogP
5.4
Topological polar surface area
64.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
7
Heavy atoms
30

Related reactions

4 records
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Compound notes

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