3-acetyl-2-butyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl [(naphthalen-2-yl)oxy]acetate
Chemical Structure Depiction of
3-acetyl-2-butyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl [(naphthalen-2-yl)oxy]acetate
3-acetyl-2-butyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl [(naphthalen-2-yl)oxy]acetate
Compound characteristics
| Compound ID: | D316-0086 |
| Compound Name: | 3-acetyl-2-butyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl [(naphthalen-2-yl)oxy]acetate |
| Molecular Weight: | 479.55 |
| Molecular Formula: | C26 H25 N O6 S |
| Smiles: | CCCCN1C(=C(c2ccccc2S1(=O)=O)OC(COc1ccc2ccccc2c1)=O)C(C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5545 |
| logD: | 4.5545 |
| logSw: | -4.6931 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 73.077 |
| InChI Key: | MKHZPCKXAWYAHP-UHFFFAOYSA-N |