N-[1-(adamantan-1-yl)ethyl]-3-{[rel-(3aR,6aR)-5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl]amino}-4-methylbenzamide
Chemical Structure Depiction of
N-[1-(adamantan-1-yl)ethyl]-3-{[rel-(3aR,6aR)-5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl]amino}-4-methylbenzamide
N-[1-(adamantan-1-yl)ethyl]-3-{[rel-(3aR,6aR)-5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl]amino}-4-methylbenzamide
Compound characteristics
| Compound ID: | C685-0584 |
| Compound Name: | N-[1-(adamantan-1-yl)ethyl]-3-{[rel-(3aR,6aR)-5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl]amino}-4-methylbenzamide |
| Molecular Weight: | 487.68 |
| Molecular Formula: | C25 H33 N3 O3 S2 |
| Smiles: | CC(C12CC3CC(CC(C3)C2)C1)NC(c1ccc(C)c(c1)NC1=N[C@@H]2CS(C[C@@H]2S1)(=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.0187 |
| logD: | 4.0187 |
| logSw: | -4.1328 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.254 |
| InChI Key: | VCFUKUKSFQCMKA-UHFFFAOYSA-N |