2-{[3-(4-chloro-3-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-(4-chloro-3-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-(4-chloro-3-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: | K286-3529 |
| Compound Name: | 2-{[3-(4-chloro-3-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: | 455.02 |
| Molecular Formula: | C18 H19 Cl N4 O2 S3 |
| Smiles: | CCN(CC)C(CSC1NC(C2=C(N=1)N(C(=S)S2)c1ccc(c(C)c1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8048 |
| logD: | 3.8032 |
| logSw: | -4.2288 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.972 |
| InChI Key: | OGXOQOXFUVDICL-UHFFFAOYSA-N |