2-(1,3-benzothiazol-2-yl)-4-{[(4-methylpiperazin-1-yl)imino]methyl}-5-(trifluoromethyl)-1,2-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
2-(1,3-benzothiazol-2-yl)-4-{[(4-methylpiperazin-1-yl)imino]methyl}-5-(trifluoromethyl)-1,2-dihydro-3H-pyrazol-3-one
2-(1,3-benzothiazol-2-yl)-4-{[(4-methylpiperazin-1-yl)imino]methyl}-5-(trifluoromethyl)-1,2-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 3410-1176 |
| Compound Name: | 2-(1,3-benzothiazol-2-yl)-4-{[(4-methylpiperazin-1-yl)imino]methyl}-5-(trifluoromethyl)-1,2-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 410.42 |
| Molecular Formula: | C17 H17 F3 N6 O S |
| Smiles: | CN1CCN(CC1)/N=C/C1=C(C(F)(F)F)NN(C1=O)c1nc2ccccc2s1 |
| Stereo: | ACHIRAL |
| logP: | 2.6455 |
| logD: | 2.6455 |
| logSw: | -2.9113 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.47 |
| InChI Key: | ZDIDOUSOYMVBIP-UHFFFAOYSA-N |