ethyl {[3-(5-chloro-2-methoxyphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetate
Chemical Structure Depiction of
ethyl {[3-(5-chloro-2-methoxyphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetate
ethyl {[3-(5-chloro-2-methoxyphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | K286-3564 |
| Compound Name: | ethyl {[3-(5-chloro-2-methoxyphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetate |
| Molecular Weight: | 443.95 |
| Molecular Formula: | C16 H14 Cl N3 O4 S3 |
| Smiles: | CCOC(CSC1NC(C2=C(N=1)N(C(=S)S2)c1cc(ccc1OC)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9583 |
| logD: | 2.9567 |
| logSw: | -3.5679 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.056 |
| InChI Key: | VJPFQKGUSTTXJS-UHFFFAOYSA-N |