3-({3-[benzyl(ethyl)amino]propyl}amino)-4-methyl-5-[4-(propan-2-yl)phenyl]-1H-1lambda~6~,2-thiazole-1,1-dione
Chemical Structure Depiction of
3-({3-[benzyl(ethyl)amino]propyl}amino)-4-methyl-5-[4-(propan-2-yl)phenyl]-1H-1lambda~6~,2-thiazole-1,1-dione
3-({3-[benzyl(ethyl)amino]propyl}amino)-4-methyl-5-[4-(propan-2-yl)phenyl]-1H-1lambda~6~,2-thiazole-1,1-dione
Compound characteristics
| Compound ID: | E013-3028 |
| Compound Name: | 3-({3-[benzyl(ethyl)amino]propyl}amino)-4-methyl-5-[4-(propan-2-yl)phenyl]-1H-1lambda~6~,2-thiazole-1,1-dione |
| Molecular Weight: | 439.62 |
| Molecular Formula: | C25 H33 N3 O2 S |
| Smiles: | CCN(CCCNC1C(C)=C(c2ccc(cc2)C(C)C)S(N=1)(=O)=O)Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.8171 |
| logD: | 3.677 |
| logSw: | -4.3459 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.694 |
| InChI Key: | LUYSOASITSNQBK-UHFFFAOYSA-N |