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}-N-[2-(1H-indol-3-yl)ethyl]-4-methylbenzamide
Chemical Structure Depiction of
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}-N-[2-(1H-indol-3-yl)ethyl]-4-methylbenzamide
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}-N-[2-(1H-indol-3-yl)ethyl]-4-methylbenzamide
Compound characteristics
| Compound ID: | C685-0646 |
| Compound Name: | 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}-N-[2-(1H-indol-3-yl)ethyl]-4-methylbenzamide |
| Molecular Weight: | 468.6 |
| Molecular Formula: | C23 H24 N4 O3 S2 |
| Smiles: | Cc1ccc(cc1NC1=N[C@@H]2CS(C[C@@H]2S1)(=O)=O)C(NCCc1c[nH]c2ccccc12)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.7577 |
| logD: | 2.7577 |
| logSw: | -3.322 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 80.769 |
| InChI Key: | BZVJJEIGJPSBBI-UHFFFAOYSA-N |