1-(4-{2-[5-(furan-2-yl)-3-(4-methoxyphenyl)-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-(furan-2-yl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}benzene-1-sulfonyl)piperidine--hydrogen bromide (1/1)
1-(4-{2-[5-(furan-2-yl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}benzene-1-sulfonyl)piperidine--hydrogen bromide (1/1)
Compound characteristics
| Compound ID: | 4487-1061 |
| Compound Name: | 1-(4-{2-[5-(furan-2-yl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}benzene-1-sulfonyl)piperidine--hydrogen bromide (1/1) |
| Molecular Weight: | 629.59 |
| Molecular Formula: | C28 H28 N4 O4 S2 |
| Salt: | HBr |
| Smiles: | COc1ccc(cc1)C1CC(c2ccco2)N(c2nc(cs2)c2ccc(cc2)S(N2CCCCC2)(=O)=O)N=1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.5975 |
| logD: | 6.5975 |
| logSw: | -5.7311 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.301 |
| InChI Key: | OCJYESYBHMOVCR-SANMLTNESA-N |