1-(4-{2-[5-(3,4-dimethoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}benzene-1-sulfonyl)piperidine--hydrogen bromide (1/1)
Chemical Structure Depiction of
1-(4-{2-[5-(3,4-dimethoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}benzene-1-sulfonyl)piperidine--hydrogen bromide (1/1)
1-(4-{2-[5-(3,4-dimethoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}benzene-1-sulfonyl)piperidine--hydrogen bromide (1/1)
Compound characteristics
| Compound ID: | 4487-1032 |
| Compound Name: | 1-(4-{2-[5-(3,4-dimethoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}benzene-1-sulfonyl)piperidine--hydrogen bromide (1/1) |
| Molecular Weight: | 675.69 |
| Molecular Formula: | C29 H30 N4 O4 S3 |
| Salt: | HBr |
| Smiles: | COc1ccc(cc1OC)C1CC(c2cccs2)=NN1c1nc(cs1)c1ccc(cc1)S(N1CCCCC1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.8922 |
| logD: | 6.8922 |
| logSw: | -5.7452 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.458 |
| InChI Key: | YYPURHHTXKYMLT-VWLOTQADSA-N |