N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(9-ethyl-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl)acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(9-ethyl-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl)acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(9-ethyl-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl)acetamide
Compound characteristics
| Compound ID: | D289-0360 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(9-ethyl-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl)acetamide |
| Molecular Weight: | 450.51 |
| Molecular Formula: | C24 H22 N2 O5 S |
| Smiles: | CCc1ccc2c(c1)c1ccccc1S(N2CC(NCc1ccc2c(c1)OCO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1811 |
| logD: | 4.1811 |
| logSw: | -4.192 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.349 |
| InChI Key: | SMGVCGSHEYVGJB-UHFFFAOYSA-N |