N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[3-(2-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[3-(2-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[3-(2-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | F092-0305 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[3-(2-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide |
| Molecular Weight: | 498.6 |
| Molecular Formula: | C22 H18 N4 O4 S3 |
| Smiles: | Cc1ccccc1N1C2=C(C(NC(=N2)SCC(Nc2ccc3c(c2)OCCO3)=O)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 2.6866 |
| logD: | 2.685 |
| logSw: | -3.0855 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.968 |
| InChI Key: | DNOMZRHFICKWGK-UHFFFAOYSA-N |