N-(4-chlorophenyl)-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-(4-chlorophenyl)-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-(4-chlorophenyl)-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: | F092-0116 |
| Compound Name: | N-(4-chlorophenyl)-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: | 491.01 |
| Molecular Formula: | C20 H15 Cl N4 O3 S3 |
| Smiles: | COc1cccc(c1)N1C2=C(C(NC(=N2)SCC(Nc2ccc(cc2)[Cl])=O)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 4.0445 |
| logD: | 4.0429 |
| logSw: | -4.494 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.989 |
| InChI Key: | OTUIKOOXGBYKKA-UHFFFAOYSA-N |