N-{2-[5-(2H-1,3-benzodioxol-5-yl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-2-fluorobenzamide
Chemical Structure Depiction of
N-{2-[5-(2H-1,3-benzodioxol-5-yl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-2-fluorobenzamide
N-{2-[5-(2H-1,3-benzodioxol-5-yl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-2-fluorobenzamide
Compound characteristics
| Compound ID: | V018-9387 |
| Compound Name: | N-{2-[5-(2H-1,3-benzodioxol-5-yl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-2-fluorobenzamide |
| Molecular Weight: | 451.48 |
| Molecular Formula: | C23 H18 F N3 O4 S |
| Smiles: | C1C(c2ccc3c(c2)OCO3)N(C(CNC(c2ccccc2F)=O)=O)N=C1c1cccs1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4276 |
| logD: | 4.4276 |
| logSw: | -4.4197 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.406 |
| InChI Key: | KCYRTUPSXDSGRZ-GOSISDBHSA-N |