4-methyl-3-[4-(4-nitrophenyl)piperazin-1-yl]-5-[4-(propan-2-yl)phenyl]-1H-1lambda~6~,2-thiazole-1,1-dione
Chemical Structure Depiction of
4-methyl-3-[4-(4-nitrophenyl)piperazin-1-yl]-5-[4-(propan-2-yl)phenyl]-1H-1lambda~6~,2-thiazole-1,1-dione
4-methyl-3-[4-(4-nitrophenyl)piperazin-1-yl]-5-[4-(propan-2-yl)phenyl]-1H-1lambda~6~,2-thiazole-1,1-dione
Compound characteristics
| Compound ID: | E013-3112 |
| Compound Name: | 4-methyl-3-[4-(4-nitrophenyl)piperazin-1-yl]-5-[4-(propan-2-yl)phenyl]-1H-1lambda~6~,2-thiazole-1,1-dione |
| Molecular Weight: | 454.55 |
| Molecular Formula: | C23 H26 N4 O4 S |
| Smiles: | CC(C)c1ccc(cc1)C1=C(C)C(=NS1(=O)=O)N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.9617 |
| logD: | 4.9617 |
| logSw: | -4.5871 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 79.772 |
| InChI Key: | MQGDAEFADCYZAL-UHFFFAOYSA-N |