5-(3,4-dimethylphenyl)-3-{4-[(4-ethylpiperazin-1-yl)methyl]anilino}-4-methyl-1H-1lambda~6~,2-thiazole-1,1-dione
Chemical Structure Depiction of
5-(3,4-dimethylphenyl)-3-{4-[(4-ethylpiperazin-1-yl)methyl]anilino}-4-methyl-1H-1lambda~6~,2-thiazole-1,1-dione
5-(3,4-dimethylphenyl)-3-{4-[(4-ethylpiperazin-1-yl)methyl]anilino}-4-methyl-1H-1lambda~6~,2-thiazole-1,1-dione
Compound characteristics
| Compound ID: | E013-0581 |
| Compound Name: | 5-(3,4-dimethylphenyl)-3-{4-[(4-ethylpiperazin-1-yl)methyl]anilino}-4-methyl-1H-1lambda~6~,2-thiazole-1,1-dione |
| Molecular Weight: | 452.62 |
| Molecular Formula: | C25 H32 N4 O2 S |
| Smiles: | CCN1CCN(CC1)Cc1ccc(cc1)NC1C(C)=C(c2ccc(C)c(C)c2)S(N=1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9211 |
| logD: | 2.9894 |
| logSw: | -3.8626 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.114 |
| InChI Key: | BOXVJYLVHRIOJH-UHFFFAOYSA-N |