ethyl 4-[5-{[2-(diethylamino)-2-oxoethyl]sulfanyl}-7-oxo-6-phenyl-2-sulfanylidene-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-3(2H)-yl]benzoate
Chemical Structure Depiction of
ethyl 4-[5-{[2-(diethylamino)-2-oxoethyl]sulfanyl}-7-oxo-6-phenyl-2-sulfanylidene-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-3(2H)-yl]benzoate
ethyl 4-[5-{[2-(diethylamino)-2-oxoethyl]sulfanyl}-7-oxo-6-phenyl-2-sulfanylidene-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-3(2H)-yl]benzoate
Compound characteristics
| Compound ID: | K286-0226 |
| Compound Name: | ethyl 4-[5-{[2-(diethylamino)-2-oxoethyl]sulfanyl}-7-oxo-6-phenyl-2-sulfanylidene-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-3(2H)-yl]benzoate |
| Molecular Weight: | 554.71 |
| Molecular Formula: | C26 H26 N4 O4 S3 |
| Smiles: | CCN(CC)C(CSC1=NC2=C(C(N1c1ccccc1)=O)SC(N2c1ccc(cc1)C(=O)OCC)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5309 |
| logD: | 4.5309 |
| logSw: | -4.2232 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 63.384 |
| InChI Key: | YMZFREBKWBTBTG-UHFFFAOYSA-N |