4-methyl-3-{4-[(4-methylpiperidin-1-yl)methyl]anilino}-5-[4-(propan-2-yl)phenyl]-1H-1lambda~6~,2-thiazole-1,1-dione
Chemical Structure Depiction of
4-methyl-3-{4-[(4-methylpiperidin-1-yl)methyl]anilino}-5-[4-(propan-2-yl)phenyl]-1H-1lambda~6~,2-thiazole-1,1-dione
4-methyl-3-{4-[(4-methylpiperidin-1-yl)methyl]anilino}-5-[4-(propan-2-yl)phenyl]-1H-1lambda~6~,2-thiazole-1,1-dione
Compound characteristics
| Compound ID: | E013-3087 |
| Compound Name: | 4-methyl-3-{4-[(4-methylpiperidin-1-yl)methyl]anilino}-5-[4-(propan-2-yl)phenyl]-1H-1lambda~6~,2-thiazole-1,1-dione |
| Molecular Weight: | 451.63 |
| Molecular Formula: | C26 H33 N3 O2 S |
| Smiles: | CC1CCN(CC1)Cc1ccc(cc1)NC1C(C)=C(c2ccc(cc2)C(C)C)S(N=1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5777 |
| logD: | 4.128 |
| logSw: | -5.4837 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.577 |
| InChI Key: | KXZIKCUEKIQZKL-UHFFFAOYSA-N |