| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2008 | 17 | Yes |
Popular Name: (5-isobutyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)acetonitrile (5-isobutyl-4-oxo-3,4-dihydrothi…
Find On: PubMed — Wikipedia — Google
CAS Number: 926208-72-2
| 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) | 2.04 | 5.88 | -18.31 | 1 | 4 | 0 | 70 | 247.323 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.50 | 4.79 | -40.84 | 0 | 4 | -1 | 73 | 246.315 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 218 - 220 | Enamine Building Blocks |
| MP | 218...220 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
