2-{[3-(2,4-dimethylphenyl)-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-(2,4-dimethylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N,N-diethylacetamide
2-{[3-(2,4-dimethylphenyl)-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: | K286-3874 |
| Compound Name: | 2-{[3-(2,4-dimethylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N,N-diethylacetamide |
| Molecular Weight: | 434.6 |
| Molecular Formula: | C19 H22 N4 O2 S3 |
| Smiles: | CCN(CC)C(CSC1NC(C2=C(N=1)N(C(=S)S2)c1ccc(C)cc1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5726 |
| logD: | 3.571 |
| logSw: | -3.9114 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.671 |
| InChI Key: | CIYDPHZHTHVDLO-UHFFFAOYSA-N |