| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 3rd, 2004 | 19 | No |
Popular Name: 3-(2-fluorophenyl)-2-thioxo-2,3-dihydro-4(1H)-quinazolinone 3-(2-fluorophenyl)-2-thioxo-2,3-…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 23892-21-9 , [23892-21-9]
3-(2-Fluoro-phenyl)-2-mercapto-3H-quinazolin-4-one
3-(2-Fluorophenyl)-2-thioxo-2,3-dihydro-1H-quinazolin-4-one
3-(2-fluorophenyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 2.64 | 8.74 | -17.34 | 1 | 3 | 0 | 38 | 272.304 | 1 | ↓ |
| Mid Mid (pH 6-8) | 3.37 | 8.31 | -48.27 | 0 | 3 | -1 | 35 | 271.296 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 2.740000000000000e+002 - 2.760000000000000e+002 | KeyOrganics |
| melting_point | 274 - 276 | KeyOrganics |
| MP | 274-276° | Matrix Scientific |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | >95% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.
