methyl 4-{2-[2-(ethylsulfanyl)-7-oxo[1,3]thiazolo[4,5-d]pyrimidin-6(7H)-yl]acetamido}benzoate
Chemical Structure Depiction of
methyl 4-{2-[2-(ethylsulfanyl)-7-oxo[1,3]thiazolo[4,5-d]pyrimidin-6(7H)-yl]acetamido}benzoate
methyl 4-{2-[2-(ethylsulfanyl)-7-oxo[1,3]thiazolo[4,5-d]pyrimidin-6(7H)-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | F802-0113 |
| Compound Name: | methyl 4-{2-[2-(ethylsulfanyl)-7-oxo[1,3]thiazolo[4,5-d]pyrimidin-6(7H)-yl]acetamido}benzoate |
| Molecular Weight: | 404.46 |
| Molecular Formula: | C17 H16 N4 O4 S2 |
| Smiles: | CCSc1nc2c(C(N(CC(Nc3ccc(cc3)C(=O)OC)=O)C=N2)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.129 |
| logD: | 3.1289 |
| logSw: | -3.3456 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.604 |
| InChI Key: | NFNYUPCKUQHYGV-UHFFFAOYSA-N |