methyl 4-chloro-3-{2-[5,5-dioxo-9-(propan-2-yl)-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]acetamido}benzoate
Chemical Structure Depiction of
methyl 4-chloro-3-{2-[5,5-dioxo-9-(propan-2-yl)-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]acetamido}benzoate
methyl 4-chloro-3-{2-[5,5-dioxo-9-(propan-2-yl)-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | D289-0464 |
| Compound Name: | methyl 4-chloro-3-{2-[5,5-dioxo-9-(propan-2-yl)-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]acetamido}benzoate |
| Molecular Weight: | 498.98 |
| Molecular Formula: | C25 H23 Cl N2 O5 S |
| Smiles: | CC(C)c1ccc2c(c1)c1ccccc1S(N2CC(Nc1cc(ccc1[Cl])C(=O)OC)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6792 |
| logD: | 5.6788 |
| logSw: | -5.862 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.387 |
| InChI Key: | KBACBCXHVJOEPN-UHFFFAOYSA-N |