N-(3-chloro-4-methylphenyl)-2-{[3-(2,4-dimethylphenyl)-7-oxo-6-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3-chloro-4-methylphenyl)-2-{[3-(2,4-dimethylphenyl)-7-oxo-6-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide
N-(3-chloro-4-methylphenyl)-2-{[3-(2,4-dimethylphenyl)-7-oxo-6-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | K286-3871 |
| Compound Name: | N-(3-chloro-4-methylphenyl)-2-{[3-(2,4-dimethylphenyl)-7-oxo-6-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide |
| Molecular Weight: | 579.16 |
| Molecular Formula: | C28 H23 Cl N4 O2 S3 |
| Smiles: | Cc1ccc(c(C)c1)N1C2=C(C(N(C(=N2)SCC(Nc2ccc(C)c(c2)[Cl])=O)c2ccccc2)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 7.3196 |
| logD: | 7.3195 |
| logSw: | -6.3048 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.803 |
| InChI Key: | VFARGYXSIBIKSX-UHFFFAOYSA-N |