ethyl 2-{2-[(7-oxo-3-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
ethyl 2-{2-[(7-oxo-3-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl]acetamido}benzoate
ethyl 2-{2-[(7-oxo-3-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | F092-0412 |
| Compound Name: | ethyl 2-{2-[(7-oxo-3-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 498.6 |
| Molecular Formula: | C22 H18 N4 O4 S3 |
| Smiles: | CCOC(c1ccccc1NC(CSC1NC(C2=C(N=1)N(C(=S)S2)c1ccccc1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4326 |
| logD: | 3.4243 |
| logSw: | -3.7644 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.501 |
| InChI Key: | PDMVABJMUWHXRX-UHFFFAOYSA-N |