N-[(4-methoxyphenyl)methyl]-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide
Chemical Structure Depiction of
N-[(4-methoxyphenyl)methyl]-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide
N-[(4-methoxyphenyl)methyl]-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide
Compound characteristics
| Compound ID: | C114-0003 |
| Compound Name: | N-[(4-methoxyphenyl)methyl]-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide |
| Molecular Weight: | 360.39 |
| Molecular Formula: | C17 H16 N2 O5 S |
| Smiles: | COc1ccc(CNC(CN2C(c3ccccc3S2(=O)=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 1.045 |
| logD: | 1.045 |
| logSw: | -2.4418 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.199 |
| InChI Key: | XJKGKWIFXLICNG-UHFFFAOYSA-N |