2-{[3-(3-methoxyphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-(2-methylphenyl)acetamide
Chemical Structure Depiction of
2-{[3-(3-methoxyphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-(2-methylphenyl)acetamide
2-{[3-(3-methoxyphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-(2-methylphenyl)acetamide
Compound characteristics
| Compound ID: | F092-0106 |
| Compound Name: | 2-{[3-(3-methoxyphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-(2-methylphenyl)acetamide |
| Molecular Weight: | 470.59 |
| Molecular Formula: | C21 H18 N4 O3 S3 |
| Smiles: | Cc1ccccc1NC(CSC1NC(C2=C(N=1)N(C(=S)S2)c1cccc(c1)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2446 |
| logD: | 3.243 |
| logSw: | -3.4789 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.291 |
| InChI Key: | PJQTVNSBSYYTHI-UHFFFAOYSA-N |