1-[4-(2-{5-(furan-2-yl)-3-[4-(2-methylpropyl)phenyl]-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-(2-methylpropyl)phenyl]-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-(2-methylpropyl)phenyl]-4,5-dihydro-1H-pyrazol-1-yl}-1,3-thiazol-4-yl)benzene-1-sulfonyl]piperidine--hydrogen bromide (1/1)
Compound characteristics
| Compound ID: | 4487-1122 |
| Compound Name: | 1-[4-(2-{5-(furan-2-yl)-3-[4-(2-methylpropyl)phenyl]-4,5-dihydro-1H-pyrazol-1-yl}-1,3-thiazol-4-yl)benzene-1-sulfonyl]piperidine--hydrogen bromide (1/1) |
| Molecular Weight: | 655.68 |
| Molecular Formula: | C31 H34 N4 O3 S2 |
| Salt: | HBr |
| Smiles: | CC(C)Cc1ccc(cc1)C1CC(c2ccco2)N(c2nc(cs2)c2ccc(cc2)S(N2CCCCC2)(=O)=O)N=1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 8.2955 |
| logD: | 8.2955 |
| logSw: | -5.7581 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.757 |
| InChI Key: | KKPWTMLTFKTOFU-LJAQVGFWSA-N |