2-(1,3-benzothiazol-2-yl)-4-[N-(4-methoxyphenyl)propanimidoyl]-5-(trifluoromethyl)-1,2-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
2-(1,3-benzothiazol-2-yl)-4-[N-(4-methoxyphenyl)propanimidoyl]-5-(trifluoromethyl)-1,2-dihydro-3H-pyrazol-3-one
2-(1,3-benzothiazol-2-yl)-4-[N-(4-methoxyphenyl)propanimidoyl]-5-(trifluoromethyl)-1,2-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | Y500-5199 |
| Compound Name: | 2-(1,3-benzothiazol-2-yl)-4-[N-(4-methoxyphenyl)propanimidoyl]-5-(trifluoromethyl)-1,2-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 446.45 |
| Molecular Formula: | C21 H17 F3 N4 O2 S |
| Smiles: | CC\C(C1=C(C(F)(F)F)NN(C1=O)c1nc2ccccc2s1)=N/c1ccc(cc1)OC |
| Stereo: | ACHIRAL |
| logP: | 4.77 |
| logD: | -1.2075 |
| logSw: | -4.5339 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.238 |
| InChI Key: | LVIVRHLTRAQGTI-UHFFFAOYSA-N |