ethyl N-{4-[4-methyl-5-(4-methylphenyl)-1,1-dioxo-1H-1lambda~6~,2-thiazol-3-yl]-1,4-diazepane-1-carbonyl}glycinate
Chemical Structure Depiction of
ethyl N-{4-[4-methyl-5-(4-methylphenyl)-1,1-dioxo-1H-1lambda~6~,2-thiazol-3-yl]-1,4-diazepane-1-carbonyl}glycinate
ethyl N-{4-[4-methyl-5-(4-methylphenyl)-1,1-dioxo-1H-1lambda~6~,2-thiazol-3-yl]-1,4-diazepane-1-carbonyl}glycinate
Compound characteristics
| Compound ID: | T379-0003 |
| Compound Name: | ethyl N-{4-[4-methyl-5-(4-methylphenyl)-1,1-dioxo-1H-1lambda~6~,2-thiazol-3-yl]-1,4-diazepane-1-carbonyl}glycinate |
| Molecular Weight: | 448.54 |
| Molecular Formula: | C21 H28 N4 O5 S |
| Smiles: | CCOC(CNC(N1CCCN(CC1)C1C(C)=C(c2ccc(C)cc2)S(N=1)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2332 |
| logD: | 2.2332 |
| logSw: | -2.7263 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.491 |
| InChI Key: | IBCQJLAYKMTQOE-UHFFFAOYSA-N |