| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 27th, 2008 | 21 | No |
Popular Name: (E)-4-{3-[(sec-Butylamino)carbonyl]anilino}-4-oxo-2-butenoic acid (E)-4-{3-[(sec-Butylamino)carbon…
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CAS Numbers: , 940498-87-3 , [940498-87-3]
(e)-4-{3-[(sec-butylamino)carbonyl]anilino}-4-oxo-2-butenoicacid
2-butenoic acid, 4-[[3-[[(1-methylpropyl)amino]carbonyl]phenyl]amino]-4-oxo-
4-({3-[(sec-butylamino)carbonyl]phenyl}amino)-4-oxo-2-butenoic 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) | 1.26 | -1.19 | -61.13 | 2 | 6 | -1 | 98 | 289.311 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
