2-{[3,6-bis(2-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N,N-diethylacetamide
Chemical Structure Depiction of
2-{[3,6-bis(2-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N,N-diethylacetamide
2-{[3,6-bis(2-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N,N-diethylacetamide
Compound characteristics
| Compound ID: | K286-1509 |
| Compound Name: | 2-{[3,6-bis(2-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N,N-diethylacetamide |
| Molecular Weight: | 510.7 |
| Molecular Formula: | C25 H26 N4 O2 S3 |
| Smiles: | CCN(CC)C(CSC1=NC2=C(C(N1c1ccccc1C)=O)SC(N2c1ccccc1C)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9072 |
| logD: | 4.9072 |
| logSw: | -4.5678 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 42.029 |
| InChI Key: | RJKMIURLRVKFAI-UHFFFAOYSA-N |