2-[5,5-dioxo-9-(propan-2-yl)-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]-N-(2-{[(3-methylphenyl)methyl]sulfanyl}ethyl)acetamide
Chemical Structure Depiction of
2-[5,5-dioxo-9-(propan-2-yl)-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]-N-(2-{[(3-methylphenyl)methyl]sulfanyl}ethyl)acetamide
2-[5,5-dioxo-9-(propan-2-yl)-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]-N-(2-{[(3-methylphenyl)methyl]sulfanyl}ethyl)acetamide
Compound characteristics
| Compound ID: | D289-0459 |
| Compound Name: | 2-[5,5-dioxo-9-(propan-2-yl)-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]-N-(2-{[(3-methylphenyl)methyl]sulfanyl}ethyl)acetamide |
| Molecular Weight: | 494.67 |
| Molecular Formula: | C27 H30 N2 O3 S2 |
| Smiles: | CC(C)c1ccc2c(c1)c1ccccc1S(N2CC(NCCSCc1cccc(C)c1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0277 |
| logD: | 6.0277 |
| logSw: | -5.5338 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.075 |
| InChI Key: | VNBWMIGWHSVGFP-UHFFFAOYSA-N |