ethyl {[6-butyl-3-(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 {[6-butyl-3-(2-methoxyphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetate
ethyl {[6-butyl-3-(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: | A0018865 |
| Compound Name: | ethyl {[6-butyl-3-(2-methoxyphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetate |
| Molecular Weight: | 465.61 |
| Molecular Formula: | C20 H23 N3 O4 S3 |
| Smiles: | CCCCN1C(=NC2=C(C1=O)SC(N2c1ccccc1OC)=S)SCC(=O)OCC |
| Stereo: | ACHIRAL |
| logP: | 4.1153 |
| logD: | 4.1153 |
| logSw: | -4.0235 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 55.576 |
| InChI Key: | IBZFVIYNODKEDQ-UHFFFAOYSA-N |