2-{4-[4-(2-methylpropyl)piperazine-1-sulfonyl]-2-(4-methyl-1,3-thiazol-2-yl)-1H-pyrrol-1-yl}-1-(piperidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-{4-[4-(2-methylpropyl)piperazine-1-sulfonyl]-2-(4-methyl-1,3-thiazol-2-yl)-1H-pyrrol-1-yl}-1-(piperidin-1-yl)ethan-1-one
2-{4-[4-(2-methylpropyl)piperazine-1-sulfonyl]-2-(4-methyl-1,3-thiazol-2-yl)-1H-pyrrol-1-yl}-1-(piperidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | M347-0385 |
| Compound Name: | 2-{4-[4-(2-methylpropyl)piperazine-1-sulfonyl]-2-(4-methyl-1,3-thiazol-2-yl)-1H-pyrrol-1-yl}-1-(piperidin-1-yl)ethan-1-one |
| Molecular Weight: | 493.69 |
| Molecular Formula: | C23 H35 N5 O3 S2 |
| Smiles: | CC(C)CN1CCN(CC1)S(c1cc(c2nc(C)cs2)n(CC(N2CCCCC2)=O)c1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6132 |
| logD: | 2.5195 |
| logSw: | -2.7818 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 63.177 |
| InChI Key: | XOAJNWIWYYMVJA-UHFFFAOYSA-N |