2-{[3-(4-chlorophenyl)-6-methyl-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-[3-(methylsulfanyl)phenyl]acetamide
Chemical Structure Depiction of
2-{[3-(4-chlorophenyl)-6-methyl-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-[3-(methylsulfanyl)phenyl]acetamide
2-{[3-(4-chlorophenyl)-6-methyl-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-[3-(methylsulfanyl)phenyl]acetamide
Compound characteristics
| Compound ID: | C200-6879 |
| Compound Name: | 2-{[3-(4-chlorophenyl)-6-methyl-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-[3-(methylsulfanyl)phenyl]acetamide |
| Molecular Weight: | 521.1 |
| Molecular Formula: | C21 H17 Cl N4 O2 S4 |
| Smiles: | CN1C(=NC2=C(C1=O)SC(N2c1ccc(cc1)[Cl])=S)SCC(Nc1cccc(c1)SC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5861 |
| logD: | 4.5861 |
| logSw: | -4.7708 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.753 |
| InChI Key: | NKKULCIOQWOWJL-UHFFFAOYSA-N |