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
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
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: | C685-0113 |
| 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-{3-[ethyl(phenyl)amino]propyl}benzamide |
| Molecular Weight: | 472.63 |
| Molecular Formula: | C23 H28 N4 O3 S2 |
| Smiles: | CCN(CCCNC(c1cccc(c1)NC1=N[C@H]2CS(C[C@H]2S1)(=O)=O)=O)c1ccccc1 |
| Stereo: | RELATIVE |
| logP: | 3.1095 |
| logD: | 3.0838 |
| logSw: | -3.5075 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.586 |
| InChI Key: | ZFJJXPHGVPMSQK-LEWJYISDSA-N |