2,2,2-trifluoroethyl 5-{[4-(adamantan-1-yl)-1,3-thiazol-2-yl]amino}-5-oxopentanoate
Chemical Structure Depiction of
2,2,2-trifluoroethyl 5-{[4-(adamantan-1-yl)-1,3-thiazol-2-yl]amino}-5-oxopentanoate
2,2,2-trifluoroethyl 5-{[4-(adamantan-1-yl)-1,3-thiazol-2-yl]amino}-5-oxopentanoate
Compound characteristics
| Compound ID: | Y508-8402 |
| Compound Name: | 2,2,2-trifluoroethyl 5-{[4-(adamantan-1-yl)-1,3-thiazol-2-yl]amino}-5-oxopentanoate |
| Molecular Weight: | 430.49 |
| Molecular Formula: | C20 H25 F3 N2 O3 S |
| Smiles: | C(CC(Nc1nc(cs1)C12CC3CC(CC(C3)C2)C1)=O)CC(=O)OCC(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 5.384 |
| logD: | 5.374 |
| logSw: | -5.5091 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.73 |
| InChI Key: | UNMDINYQRCXPKW-UHFFFAOYSA-N |