| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2005 | 13 | Yes |
Popular Name: 3-Methyl-1,3,4,5-tetrahydro-benzo[b][1,4]diazepin-2-one 3-Methyl-1,3,4,5-tetrahydro-benz…
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CAS Numbers: 54028-76-1 , [54028-76-1]
2H-1,5-benzodiazepin-2-one, 1,3,4,5-tetrahydro-3-methyl-
3-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one
3-Methyl-1,3,4,5-tetrahydro-benzo[b][1,4]diazepin-
3-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one
3-Methyl-4,5-dihydro-1H-benzo[b][1,4]diazepin-2(3H)-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) | 1.53 | 1.97 | -6.22 | 2 | 3 | 0 | 41 | 176.219 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 201-202° | Matrix Scientific |
| MP | 203 - 205 | Enamine Building Blocks |
| MP | 203...205 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95+% | Fluorochem |
| Warnings | IRRITANT | Matrix Scientific |
