methyl N-{[1-(4-methyl-1,1-dioxo-5-phenyl-1H-1lambda~6~,2-thiazol-3-yl)piperidin-4-yl]carbamoyl}-beta-alaninate
Chemical Structure Depiction of
methyl N-{[1-(4-methyl-1,1-dioxo-5-phenyl-1H-1lambda~6~,2-thiazol-3-yl)piperidin-4-yl]carbamoyl}-beta-alaninate
methyl N-{[1-(4-methyl-1,1-dioxo-5-phenyl-1H-1lambda~6~,2-thiazol-3-yl)piperidin-4-yl]carbamoyl}-beta-alaninate
Compound characteristics
| Compound ID: | T377-0007 |
| Compound Name: | methyl N-{[1-(4-methyl-1,1-dioxo-5-phenyl-1H-1lambda~6~,2-thiazol-3-yl)piperidin-4-yl]carbamoyl}-beta-alaninate |
| Molecular Weight: | 434.51 |
| Molecular Formula: | C20 H26 N4 O5 S |
| Smiles: | CC1=C(c2ccccc2)S(N=C1N1CCC(CC1)NC(NCCC(=O)OC)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1872 |
| logD: | 1.1872 |
| logSw: | -2.246 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.303 |
| InChI Key: | QQGHZJYKJYJNCC-UHFFFAOYSA-N |