N-benzyl-2-{[3-(4-chloro-3-methylphenyl)-6-(4-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-benzyl-2-{[3-(4-chloro-3-methylphenyl)-6-(4-methoxyphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide
N-benzyl-2-{[3-(4-chloro-3-methylphenyl)-6-(4-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: | K286-3846 |
| Compound Name: | N-benzyl-2-{[3-(4-chloro-3-methylphenyl)-6-(4-methoxyphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide |
| Molecular Weight: | 595.16 |
| Molecular Formula: | C28 H23 Cl N4 O3 S3 |
| Smiles: | Cc1cc(ccc1[Cl])N1C2=C(C(N(C(=N2)SCC(NCc2ccccc2)=O)c2ccc(cc2)OC)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 5.9468 |
| logD: | 5.9468 |
| logSw: | -6.0376 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.97 |
| InChI Key: | KDYBTXRLNHIWRA-UHFFFAOYSA-N |