| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 12th, 2005 | 16 | No |
Popular Name: (2E)-4-[(3-methoxyphenyl)amino]-4-oxobut-2-enoic acid (2E)-4-[(3-methoxyphenyl)amino]-…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 306935-71-7 , 31460-27-2
2-butenoic acid, 4-[(3-methoxyphenyl)amino]-4-oxo-
2-butenoic acid, 4-[(3-methoxyphenyl)amino]-4-oxo-, (2E)-
3-[(3-methoxyphenyl)carbamoyl]prop-2-enoic acid
4-(3-methoxyanilino)-4-oxo-2-butenoic acid
4-(3-methoxyanilino)-4-oxobut-2-enoic acid
| 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) | 0.91 | 3.04 | -51.81 | 1 | 5 | -1 | 78 | 220.204 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 151 - 153 | Enamine Building Blocks |
| MP | 151...153 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| PUBCHEM_PATENT_ID | WO2000001692A1; WO2000025768A1 | IBM Patent Data |
