| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 6th, 2004 | 15 | No |
Popular Name: 2-(chloromethyl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one 2-(chloromethyl)-3,5,6,7-tetrahy…
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CAS Number: 91225-70-6
2-Chloromethyl-3,5,6,7-tetrahydro-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
6-Chloromethyl-1,2,3,5-tetrahydro-8-thia-5,7-diaza-cyclopenta[a]inden-4-one
6-Chloromethyl-2,3-dihydro-1H-8-thia-5,7-diaza-cyclopenta[a]inden-4-ol
| 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) | 2.08 | 5.38 | -12.5 | 1 | 3 | 0 | 46 | 240.715 | 1 | ↓ |
| Hi High (pH 8-9.5) | 2.54 | 2.96 | -46.55 | 0 | 3 | -1 | 49 | 239.707 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 230 - 238 | Enamine Building Blocks |
| MP | 289 - 291 | Enamine Building Blocks |
| MP | 289...291 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
