4-chloro-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-{3-[ethyl(phenyl)amino]propyl}benzamide
Chemical Structure Depiction of
4-chloro-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-{3-[ethyl(phenyl)amino]propyl}benzamide
4-chloro-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-{3-[ethyl(phenyl)amino]propyl}benzamide
Compound characteristics
| Compound ID: | K248-0135 |
| Compound Name: | 4-chloro-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-{3-[ethyl(phenyl)amino]propyl}benzamide |
| Molecular Weight: | 507.07 |
| Molecular Formula: | C23 H27 Cl N4 O3 S2 |
| Smiles: | CCN(CCCNC(c1ccc(c(c1)NC1=N[C@@H]2CS(C[C@@H]2S1)(=O)=O)[Cl])=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.5796 |
| logD: | 3.5539 |
| logSw: | -3.9708 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.888 |
| InChI Key: | CRQWXIBZKSRTPM-UHFFFAOYSA-N |