Basic information
- CAS
153312-20-0- Standard SMILES
CC1=CC(=O)C(C)(C2=NC(C)(C)CO2)c2ccccc21- InChIKey
QRWXKCZIDVOJIQ-UHFFFAOYSA-N- Molecular formula
- C17H19NO2
- Average molar mass
- 269.34 g/mol
- Monoisotopic mass
- 269.14157885
Overview
has selective anti-HIV-1 activity that results from non-competitive inhibition of the viral RT; structure in first source
Names & identifiers
- Preferred name
- Tgg-II-23A
- IUPAC
- 1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1,4-dimethylnaphthalen-2-one
- English name
- 1,4-Dimethyl-1-(5,5-dimethyl-2-oxazolinyl)naphthalen-2-one
- Molecular formula
- C17H19NO2
- Molecular weight
- 269.34
Names & synonyms
153312-20-0Tgg-II-23ARefChem:1889891-(4,4-Dimethyl-4,5-dihydro-oxazol-2-yl)-1,4-dimethyl-1H-naphthalen-2-oneNSC6443092(1H)-Naphthalenone, 1-(4,5-dihydro-4,4-dimethyl-2-oxazolyl)-1,4-dimethyl-1,4-Dimethyl-1-(5,5-dimethyl-2-oxazolinyl)naphthalen-2-one1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1,4-dimethylnaphthalen-2-oneCHEMBL1969373SCHEMBL29624086DTXSID70934727TGG-11-23A
Show more names
NSC-644309NCI60_0150301-(4,4-dimethyl-5H-oxazol-2-yl)-1,4-dimethyl-naphthalen-2-one1-(4,4-Dimethyl-4,5-dihydro-1,3-oxazol-2-yl)-1,4-dimethylnaphthalen-2(1H)-one
Database identifiers
- CAS
153312-20-0- PubChem CID
- 370786
- DTXSID
DTXSID70934727- ChEMBL
CHEMBL1969373
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 503
Physicochemical properties
- Boiling point
- 383.385 · 383.385±42.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.139 · 1.139±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 4.374 · 4.374±0.70(predicted)
Chemistry & industry
Applications
DescriptionTgg-II-23A has selective anti-HIV-1 activity that results from non-competitive inhibition of the viral RT.
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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