2-[(1,3-benzothiazol-2-yl)amino]-2-oxoethyl [(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetate
Chemical Structure Depiction of
2-[(1,3-benzothiazol-2-yl)amino]-2-oxoethyl [(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetate
2-[(1,3-benzothiazol-2-yl)amino]-2-oxoethyl [(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | 8008-0605 |
| Compound Name: | 2-[(1,3-benzothiazol-2-yl)amino]-2-oxoethyl [(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetate |
| Molecular Weight: | 388.47 |
| Molecular Formula: | C17 H16 N4 O3 S2 |
| Smiles: | Cc1cc(C)nc(n1)SCC(=O)OCC(Nc1nc2ccccc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2918 |
| logD: | 3.2917 |
| logSw: | -3.4262 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.318 |
| InChI Key: | CRQKIONCLNLQDE-UHFFFAOYSA-N |