3-{4-[(4-ethylpiperazin-1-yl)methyl]anilino}-5-(4-fluorophenyl)-4-methyl-1H-1lambda~6~,2-thiazole-1,1-dione
Chemical Structure Depiction of
3-{4-[(4-ethylpiperazin-1-yl)methyl]anilino}-5-(4-fluorophenyl)-4-methyl-1H-1lambda~6~,2-thiazole-1,1-dione
3-{4-[(4-ethylpiperazin-1-yl)methyl]anilino}-5-(4-fluorophenyl)-4-methyl-1H-1lambda~6~,2-thiazole-1,1-dione
Compound characteristics
| Compound ID: | G001-0856 |
| Compound Name: | 3-{4-[(4-ethylpiperazin-1-yl)methyl]anilino}-5-(4-fluorophenyl)-4-methyl-1H-1lambda~6~,2-thiazole-1,1-dione |
| Molecular Weight: | 442.55 |
| Molecular Formula: | C23 H27 F N4 O2 S |
| Smiles: | CCN1CCN(CC1)Cc1ccc(cc1)NC1C(C)=C(c2ccc(cc2)F)S(N=1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0291 |
| logD: | 2.0974 |
| logSw: | -3.3173 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.114 |
| InChI Key: | UNPSLCLFTARGJF-UHFFFAOYSA-N |