3-{4-[(4-ethylpiperazin-1-yl)methyl]anilino}-5-(4-methoxyphenyl)-4-methyl-1H-1lambda~6~,2-thiazole-1,1-dione
Chemical Structure Depiction of
3-{4-[(4-ethylpiperazin-1-yl)methyl]anilino}-5-(4-methoxyphenyl)-4-methyl-1H-1lambda~6~,2-thiazole-1,1-dione
3-{4-[(4-ethylpiperazin-1-yl)methyl]anilino}-5-(4-methoxyphenyl)-4-methyl-1H-1lambda~6~,2-thiazole-1,1-dione
Compound characteristics
| Compound ID: | E013-1780 |
| Compound Name: | 3-{4-[(4-ethylpiperazin-1-yl)methyl]anilino}-5-(4-methoxyphenyl)-4-methyl-1H-1lambda~6~,2-thiazole-1,1-dione |
| Molecular Weight: | 454.59 |
| Molecular Formula: | C24 H30 N4 O3 S |
| Smiles: | CCN1CCN(CC1)Cc1ccc(cc1)NC1C(C)=C(c2ccc(cc2)OC)S(N=1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9824 |
| logD: | 2.0508 |
| logSw: | -3.3692 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.658 |
| InChI Key: | BWUKBQPNSYYFSR-UHFFFAOYSA-N |