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}-N-(2-{[(furan-2-yl)methyl](3-methoxypropyl)amino}ethyl)benzamide
Chemical Structure Depiction of
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}-N-(2-{[(furan-2-yl)methyl](3-methoxypropyl)amino}ethyl)benzamide
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}-N-(2-{[(furan-2-yl)methyl](3-methoxypropyl)amino}ethyl)benzamide
Compound characteristics
| Compound ID: | K248-0215 |
| Compound Name: | 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}-N-(2-{[(furan-2-yl)methyl](3-methoxypropyl)amino}ethyl)benzamide |
| Molecular Weight: | 506.64 |
| Molecular Formula: | C23 H30 N4 O5 S2 |
| Smiles: | COCCCN(CCNC(c1ccc(cc1)NC1=N[C@@H]2CS(C[C@@H]2S1)(=O)=O)=O)Cc1ccco1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.6304 |
| logD: | 1.5849 |
| logSw: | -2.3746 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.628 |
| InChI Key: | SWMLVEKARQSGNY-UHFFFAOYSA-N |