N-(2H-1,3-benzodioxol-5-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-(2H-1,3-benzodioxol-5-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-(2H-1,3-benzodioxol-5-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: | F092-0298 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-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: | 484.57 |
| Molecular Formula: | C21 H16 N4 O4 S3 |
| Smiles: | Cc1ccccc1N1C2=C(C(NC(=N2)SCC(Nc2ccc3c(c2)OCO3)=O)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 3.5471 |
| logD: | 3.5455 |
| logSw: | -3.8715 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.26 |
| InChI Key: | OBYUUMQZLMFVSP-UHFFFAOYSA-N |