2-(Ethyl-[5-[3-(4-trifluoromethyl-phenyl)-benzo[d]isothiazol-6-yl]-pent-4-ynyl}-amino)-ethanol
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Basic information
- Standard SMILES
CCN(CCO)CCCC#Cc1ccc2c(-c3ccc(C(F)(F)F)cc3)nsc2c1- InChIKey
IDPMLDMRHZRSJI-UHFFFAOYSA-N- Molecular formula
- C23H23F3N2OS
- Average molar mass
- 432.5 g/mol
- Monoisotopic mass
- 432.14831902
Names & identifiers
- Preferred name
- 2-(Ethyl-[5-[3-(4-trifluoromethyl-phenyl)-benzo[d]isothiazol-6-yl]-pent-4-ynyl}-amino)-ethanol
- IUPAC
- 2-[ethyl-[5-[3-[4-(trifluoromethyl)phenyl]-1,2-benzothiazol-6-yl]pent-4-ynyl]amino]ethanol
Names & synonyms
2-(Ethyl-[5-[3-(4-trifluoromethyl-phenyl)-benzo[d]isothiazol-6-yl]-pent-4-ynyl}-amino)-ethanol2-(Ethyl-{5-[3-(4-trifluoromethyl-phenyl)-benzo[d]isothiazol-6-yl]-pent-4-ynyl}-amino)-ethanolSCHEMBL5035560
Database identifiers
- PubChem CID
- 10113655
Properties
Computed structural propertiesFilling in
- XLogP
- 5.6
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 594
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Related reactions
4 records
Compound notes
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