| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 18th, 2008 | 17 | Yes |
Popular Name: 2-[(4-methyl-1,4-diazepan-1-yl)carbonyl]aniline 2-[(4-methyl-1,4-diazepan-1-yl)c…
Find On: PubMed — Wikipedia — Google
CAS Number: 1042522-74-6
| 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) | 0.50 | 5.66 | -41.64 | 3 | 4 | 1 | 51 | 234.323 | 1 | ↓ |
| Hi High (pH 8-9.5) | 0.50 | 3.65 | -6.99 | 2 | 4 | 0 | 50 | 233.315 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 80 - 82 | Enamine Building Blocks |
| MP | 80...82 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
