2-({6-(4-fluorophenyl)-3-[(furan-2-yl)methyl]-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl}sulfanyl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide
Chemical Structure Depiction of
2-({6-(4-fluorophenyl)-3-[(furan-2-yl)methyl]-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl}sulfanyl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide
2-({6-(4-fluorophenyl)-3-[(furan-2-yl)methyl]-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl}sulfanyl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide
Compound characteristics
| Compound ID: | K286-4251 |
| Compound Name: | 2-({6-(4-fluorophenyl)-3-[(furan-2-yl)methyl]-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl}sulfanyl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide |
| Molecular Weight: | 528.6 |
| Molecular Formula: | C22 H17 F N6 O3 S3 |
| Smiles: | Cc1cc(NC(CSC2=NC3=C(C(N2c2ccc(cc2)F)=O)SC(N3Cc2ccco2)=S)=O)n[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 3.6382 |
| logD: | 3.6367 |
| logSw: | -3.9109 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.599 |
| InChI Key: | DSVJQGYLGJUFCG-UHFFFAOYSA-N |