2-{[3-(5-chloro-2-methoxyphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-cyclopentylacetamide
Chemical Structure Depiction of
2-{[3-(5-chloro-2-methoxyphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-cyclopentylacetamide
2-{[3-(5-chloro-2-methoxyphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-cyclopentylacetamide
Compound characteristics
| Compound ID: | K286-3576 |
| Compound Name: | 2-{[3-(5-chloro-2-methoxyphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-cyclopentylacetamide |
| Molecular Weight: | 483.03 |
| Molecular Formula: | C19 H19 Cl N4 O3 S3 |
| Smiles: | COc1ccc(cc1N1C2=C(C(NC(=N2)SCC(NC2CCCC2)=O)=O)SC1=S)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.1878 |
| logD: | 3.1862 |
| logSw: | -3.6665 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.188 |
| InChI Key: | MDRUIHSKQFGHRG-UHFFFAOYSA-N |