N-tert-butyl-4-[5-(4-ethylphenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~,2-thiazol-3-yl]-1,4-diazepane-1-carboxamide
Chemical Structure Depiction of
N-tert-butyl-4-[5-(4-ethylphenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~,2-thiazol-3-yl]-1,4-diazepane-1-carboxamide
N-tert-butyl-4-[5-(4-ethylphenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~,2-thiazol-3-yl]-1,4-diazepane-1-carboxamide
Compound characteristics
| Compound ID: | T379-0052 |
| Compound Name: | N-tert-butyl-4-[5-(4-ethylphenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~,2-thiazol-3-yl]-1,4-diazepane-1-carboxamide |
| Molecular Weight: | 432.58 |
| Molecular Formula: | C22 H32 N4 O3 S |
| Smiles: | CCc1ccc(cc1)C1=C(C)C(=NS1(=O)=O)N1CCCN(CC1)C(NC(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9578 |
| logD: | 3.9575 |
| logSw: | -3.8311 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.156 |
| InChI Key: | NPXSAFBBDXIGFN-UHFFFAOYSA-N |