ethyl 4-{5-[(2-ethoxy-2-oxoethyl)sulfanyl]-6-[(furan-2-yl)methyl]-7-oxo-2-sulfanylidene-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-3(2H)-yl}benzoate
Chemical Structure Depiction of
ethyl 4-{5-[(2-ethoxy-2-oxoethyl)sulfanyl]-6-[(furan-2-yl)methyl]-7-oxo-2-sulfanylidene-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-3(2H)-yl}benzoate
ethyl 4-{5-[(2-ethoxy-2-oxoethyl)sulfanyl]-6-[(furan-2-yl)methyl]-7-oxo-2-sulfanylidene-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-3(2H)-yl}benzoate
Compound characteristics
| Compound ID: | K286-0352 |
| Compound Name: | ethyl 4-{5-[(2-ethoxy-2-oxoethyl)sulfanyl]-6-[(furan-2-yl)methyl]-7-oxo-2-sulfanylidene-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-3(2H)-yl}benzoate |
| Molecular Weight: | 531.63 |
| Molecular Formula: | C23 H21 N3 O6 S3 |
| Smiles: | CCOC(CSC1=NC2=C(C(N1Cc1ccco1)=O)SC(N2c1ccc(cc1)C(=O)OCC)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4493 |
| logD: | 4.4493 |
| logSw: | -4.1692 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 76.499 |
| InChI Key: | NCBLGYHIUNTZCA-UHFFFAOYSA-N |