3-{4-[(4-ethylpiperazin-1-yl)methyl]anilino}-4-methyl-5-[4-(propan-2-yl)phenyl]-1H-1lambda~6~,2-thiazole-1,1-dione
Chemical Structure Depiction of
3-{4-[(4-ethylpiperazin-1-yl)methyl]anilino}-4-methyl-5-[4-(propan-2-yl)phenyl]-1H-1lambda~6~,2-thiazole-1,1-dione
3-{4-[(4-ethylpiperazin-1-yl)methyl]anilino}-4-methyl-5-[4-(propan-2-yl)phenyl]-1H-1lambda~6~,2-thiazole-1,1-dione
Compound characteristics
| Compound ID: | E013-3088 |
| Compound Name: | 3-{4-[(4-ethylpiperazin-1-yl)methyl]anilino}-4-methyl-5-[4-(propan-2-yl)phenyl]-1H-1lambda~6~,2-thiazole-1,1-dione |
| Molecular Weight: | 466.65 |
| Molecular Formula: | C26 H34 N4 O2 S |
| Smiles: | CCN1CCN(CC1)Cc1ccc(cc1)NC1C(C)=C(c2ccc(cc2)C(C)C)S(N=1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3383 |
| logD: | 3.4066 |
| logSw: | -4.0244 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.114 |
| InChI Key: | XOEOWAHKKPDJRS-UHFFFAOYSA-N |