N-(3-acetylphenyl)-2-{[3-(3-methoxyphenyl)-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-(3-acetylphenyl)-2-{[3-(3-methoxyphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide
N-(3-acetylphenyl)-2-{[3-(3-methoxyphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | F092-0119 |
| Compound Name: | N-(3-acetylphenyl)-2-{[3-(3-methoxyphenyl)-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: | CC(c1cccc(c1)NC(CSC1NC(C2=C(N=1)N(C(=S)S2)c1cccc(c1)OC)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1907 |
| logD: | 3.1891 |
| logSw: | -3.4861 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.816 |
| InChI Key: | IVGLMZBHPHXAHU-UHFFFAOYSA-N |