N-(2-{(butan-2-yl)[(furan-2-yl)methyl]amino}ethyl)-2-(4-{[rel-(3aR,6aR)-5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl]amino}phenyl)acetamide
Chemical Structure Depiction of
N-(2-{(butan-2-yl)[(furan-2-yl)methyl]amino}ethyl)-2-(4-{[rel-(3aR,6aR)-5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl]amino}phenyl)acetamide
N-(2-{(butan-2-yl)[(furan-2-yl)methyl]amino}ethyl)-2-(4-{[rel-(3aR,6aR)-5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl]amino}phenyl)acetamide
Compound characteristics
| Compound ID: | K248-0246 |
| Compound Name: | N-(2-{(butan-2-yl)[(furan-2-yl)methyl]amino}ethyl)-2-(4-{[rel-(3aR,6aR)-5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl]amino}phenyl)acetamide |
| Molecular Weight: | 504.67 |
| Molecular Formula: | C24 H32 N4 O4 S2 |
| Smiles: | CCC(C)N(CCNC(Cc1ccc(cc1)NC1=N[C@@H]2CS(C[C@@H]2S1)(=O)=O)=O)Cc1ccco1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.2162 |
| logD: | 1.4852 |
| logSw: | -2.9104 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.313 |
| InChI Key: | ONIDEQMXMMZNJK-UHFFFAOYSA-N |