3,4-dimethylcyclohexyl 4-{[4-(adamantan-1-yl)-1,3-thiazol-2-yl]amino}-4-oxobutanoate
Chemical Structure Depiction of
3,4-dimethylcyclohexyl 4-{[4-(adamantan-1-yl)-1,3-thiazol-2-yl]amino}-4-oxobutanoate
3,4-dimethylcyclohexyl 4-{[4-(adamantan-1-yl)-1,3-thiazol-2-yl]amino}-4-oxobutanoate
Compound characteristics
| Compound ID: | 5540-0125 |
| Compound Name: | 3,4-dimethylcyclohexyl 4-{[4-(adamantan-1-yl)-1,3-thiazol-2-yl]amino}-4-oxobutanoate |
| Molecular Weight: | 444.64 |
| Molecular Formula: | C25 H36 N2 O3 S |
| Smiles: | CC1CCC(CC1C)OC(CCC(Nc1nc(cs1)C12CC3CC(CC(C3)C2)C1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.1262 |
| logD: | 6.1144 |
| logSw: | -5.4322 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.685 |
| InChI Key: | QBAUIECIDKYOAY-UHFFFAOYSA-N |