N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[5,5-dioxo-9-(propan-2-yl)-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-[5,5-dioxo-9-(propan-2-yl)-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[5,5-dioxo-9-(propan-2-yl)-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]acetamide
Compound characteristics
| Compound ID: | D289-0401 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[5,5-dioxo-9-(propan-2-yl)-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]acetamide |
| Molecular Weight: | 464.54 |
| Molecular Formula: | C25 H24 N2 O5 S |
| Smiles: | CC(C)c1ccc2c(c1)c1ccccc1S(N2CC(NCc1ccc2c(c1)OCO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.717 |
| logD: | 4.717 |
| logSw: | -4.4356 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.349 |
| InChI Key: | CEDACXOIPNLRQF-UHFFFAOYSA-N |