3-{[1-(adamantan-1-yl)ethyl]amino}-5-(4-chlorophenyl)-4-methyl-1H-1lambda~6~,2-thiazole-1,1-dione
Chemical Structure Depiction of
3-{[1-(adamantan-1-yl)ethyl]amino}-5-(4-chlorophenyl)-4-methyl-1H-1lambda~6~,2-thiazole-1,1-dione
3-{[1-(adamantan-1-yl)ethyl]amino}-5-(4-chlorophenyl)-4-methyl-1H-1lambda~6~,2-thiazole-1,1-dione
Compound characteristics
| Compound ID: | E013-1367 |
| Compound Name: | 3-{[1-(adamantan-1-yl)ethyl]amino}-5-(4-chlorophenyl)-4-methyl-1H-1lambda~6~,2-thiazole-1,1-dione |
| Molecular Weight: | 418.98 |
| Molecular Formula: | C22 H27 Cl N2 O2 S |
| Smiles: | CC(C12CC3CC(CC(C3)C2)C1)NC1C(C)=C(c2ccc(cc2)[Cl])S(N=1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2761 |
| logD: | 5.2761 |
| logSw: | -6.0869 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.363 |
| InChI Key: | GKRJIXWBSAVNCY-HIGJEIRPSA-N |