N-benzyl-2-{[3-(3-methoxyphenyl)-6-(2-methylphenyl)-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-(3-methoxyphenyl)-6-(2-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide
N-benzyl-2-{[3-(3-methoxyphenyl)-6-(2-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | K286-0892 |
| Compound Name: | N-benzyl-2-{[3-(3-methoxyphenyl)-6-(2-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide |
| Molecular Weight: | 560.72 |
| Molecular Formula: | C28 H24 N4 O3 S3 |
| Smiles: | Cc1ccccc1N1C(=NC2=C(C1=O)SC(N2c1cccc(c1)OC)=S)SCC(NCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1809 |
| logD: | 5.1809 |
| logSw: | -5.0338 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.669 |
| InChI Key: | YCEHKABXPSRWSC-UHFFFAOYSA-N |