3-({2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}amino)-4-methyl-5-[4-(propan-2-yl)phenyl]-1H-1lambda~6~,2-thiazole-1,1-dione
Chemical Structure Depiction of
3-({2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}amino)-4-methyl-5-[4-(propan-2-yl)phenyl]-1H-1lambda~6~,2-thiazole-1,1-dione
3-({2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}amino)-4-methyl-5-[4-(propan-2-yl)phenyl]-1H-1lambda~6~,2-thiazole-1,1-dione
Compound characteristics
| Compound ID: | E013-3052 |
| Compound Name: | 3-({2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}amino)-4-methyl-5-[4-(propan-2-yl)phenyl]-1H-1lambda~6~,2-thiazole-1,1-dione |
| Molecular Weight: | 487.06 |
| Molecular Formula: | C25 H31 Cl N4 O2 S |
| Smiles: | CC(C)c1ccc(cc1)C1=C(C)C(NCCN2CCN(CC2)c2cccc(c2)[Cl])=NS1(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8556 |
| logD: | 4.3595 |
| logSw: | -4.9884 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.251 |
| InChI Key: | QITOYSBAFDUKKJ-UHFFFAOYSA-N |