N-benzyl-2-{[3-(2-ethoxyphenyl)-6-(4-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-(2-ethoxyphenyl)-6-(4-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-(2-ethoxyphenyl)-6-(4-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: | K286-3786 |
| Compound Name: | N-benzyl-2-{[3-(2-ethoxyphenyl)-6-(4-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide |
| Molecular Weight: | 574.74 |
| Molecular Formula: | C29 H26 N4 O3 S3 |
| Smiles: | CCOc1ccccc1N1C2=C(C(N(C(=N2)SCC(NCc2ccccc2)=O)c2ccc(C)cc2)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 5.3349 |
| logD: | 5.3349 |
| logSw: | -5.2835 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.335 |
| InChI Key: | KVCVCFHCYGVAGJ-UHFFFAOYSA-N |