ethyl N-[4-(4-methyl-1,1-dioxo-5-phenyl-1H-1lambda~6~,2-thiazol-3-yl)-1,4-diazepane-1-carbonyl]alaninate
Chemical Structure Depiction of
ethyl N-[4-(4-methyl-1,1-dioxo-5-phenyl-1H-1lambda~6~,2-thiazol-3-yl)-1,4-diazepane-1-carbonyl]alaninate
ethyl N-[4-(4-methyl-1,1-dioxo-5-phenyl-1H-1lambda~6~,2-thiazol-3-yl)-1,4-diazepane-1-carbonyl]alaninate
Compound characteristics
| Compound ID: | T379-0002 |
| Compound Name: | ethyl N-[4-(4-methyl-1,1-dioxo-5-phenyl-1H-1lambda~6~,2-thiazol-3-yl)-1,4-diazepane-1-carbonyl]alaninate |
| Molecular Weight: | 448.54 |
| Molecular Formula: | C21 H28 N4 O5 S |
| Smiles: | CCOC(C(C)NC(N1CCCN(CC1)C1C(C)=C(c2ccccc2)S(N=1)(=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3849 |
| logD: | 2.3849 |
| logSw: | -2.6796 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.249 |
| InChI Key: | PWKMVKAAWCMHNT-INIZCTEOSA-N |