ethyl 4-[(3,6-dibenzyl-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl]-3-oxobutanoate
Chemical Structure Depiction of
ethyl 4-[(3,6-dibenzyl-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl]-3-oxobutanoate
ethyl 4-[(3,6-dibenzyl-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl]-3-oxobutanoate
Compound characteristics
| Compound ID: | K286-0234 |
| Compound Name: | ethyl 4-[(3,6-dibenzyl-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl]-3-oxobutanoate |
| Molecular Weight: | 525.67 |
| Molecular Formula: | C25 H23 N3 O4 S3 |
| Smiles: | CCOC(CC(CSC1=NC2=C(C(N1Cc1ccccc1)=O)SC(N2Cc1ccccc1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6573 |
| logD: | 4.6573 |
| logSw: | -4.3559 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 61.363 |
| InChI Key: | KQQAUYNNNJOTMM-UHFFFAOYSA-N |