N-{3-[cyclohexyl(propan-2-yl)amino]propyl}-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}benzamide
Chemical Structure Depiction of
N-{3-[cyclohexyl(propan-2-yl)amino]propyl}-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}benzamide
N-{3-[cyclohexyl(propan-2-yl)amino]propyl}-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}benzamide
Compound characteristics
| Compound ID: | K248-0213 |
| Compound Name: | N-{3-[cyclohexyl(propan-2-yl)amino]propyl}-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}benzamide |
| Molecular Weight: | 492.7 |
| Molecular Formula: | C24 H36 N4 O3 S2 |
| Smiles: | CC(C)N(CCCNC(c1ccc(cc1)NC1=N[C@@H]2CS(C[C@@H]2S1)(=O)=O)=O)C1CCCCC1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.2781 |
| logD: | 0.238 |
| logSw: | -3.6111 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.438 |
| InChI Key: | NDOBEIZYIGFNAP-UHFFFAOYSA-N |