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)-N-(2-{[(furan-2-yl)methyl](propan-2-yl)amino}ethyl)acetamide
Chemical Structure Depiction of
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)-N-(2-{[(furan-2-yl)methyl](propan-2-yl)amino}ethyl)acetamide
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)-N-(2-{[(furan-2-yl)methyl](propan-2-yl)amino}ethyl)acetamide
Compound characteristics
| Compound ID: | K248-0224 |
| Compound Name: | 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)-N-(2-{[(furan-2-yl)methyl](propan-2-yl)amino}ethyl)acetamide |
| Molecular Weight: | 490.64 |
| Molecular Formula: | C23 H30 N4 O4 S2 |
| Smiles: | CC(C)N(CCNC(Cc1ccc(cc1)NC1=N[C@@H]2CS(C[C@@H]2S1)(=O)=O)=O)Cc1ccco1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.7651 |
| logD: | 1.0492 |
| logSw: | -2.417 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.729 |
| InChI Key: | JOZMPOMLHIMARO-UHFFFAOYSA-N |