N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-{[3-(4-fluorophenyl)-6-methyl-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-{[3-(4-fluorophenyl)-6-methyl-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-{[3-(4-fluorophenyl)-6-methyl-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | C280-1060 |
| Compound Name: | N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-{[3-(4-fluorophenyl)-6-methyl-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 495.64 |
| Molecular Formula: | C19 H18 F N5 O2 S4 |
| Smiles: | CCSc1nnc(NC(CSC2=NC3CC(C)SC=3C(N2c2ccc(cc2)F)=O)=O)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0378 |
| logD: | 4.0368 |
| logSw: | -3.943 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.552 |
| InChI Key: | XXPMQWUFCDEERU-SNVBAGLBSA-N |