| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 7th, 2004 | 19 | No |
Popular Name: 7-chloro-3-phenyl-2-thioxo-2,3-dihydro-4(1H)-quinazolinone 7-chloro-3-phenyl-2-thioxo-2,3-d…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 13165-15-6 , [13165-15-6]
7-Chloro-2,3-dihydro-3-phenyl-2-thioxo-1H-quinazolin-4-one
7-Chloro-2-mercapto-3-phenyl-3H-quinazolin-4-one
7-chloro-3-phenyl-2-sulfanyl-3,4-dihydroquinazolin-4-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) | 3.42 | 7.81 | -40.68 | 0 | 3 | -1 | 41 | 287.751 | 1 | ↓ |
| Ref Reference (pH 7) | 3.69 | 8.85 | -40.51 | 0 | 3 | -1 | 35 | 287.751 | 1 | ↓ |
| Mid Mid (pH 6-8) | 2.97 | 9.12 | -12.05 | 1 | 3 | 0 | 38 | 288.759 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 3.230000000000000e+002 - 3.240000000000000e+002 | KeyOrganics |
| melting_point | 323 - 324 | KeyOrganics |
| MP | 323-324° | Matrix Scientific |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | >95% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
