N-[2-(3,4-dimethoxyphenyl)ethyl]-2-({6-(4-fluorophenyl)-7-oxo-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-({6-(4-fluorophenyl)-7-oxo-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl}sulfanyl)acetamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-({6-(4-fluorophenyl)-7-oxo-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | K286-4298 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-2-({6-(4-fluorophenyl)-7-oxo-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl}sulfanyl)acetamide |
| Molecular Weight: | 616.75 |
| Molecular Formula: | C28 H29 F N4 O5 S3 |
| Smiles: | COc1ccc(CCNC(CSC2=NC3=C(C(N2c2ccc(cc2)F)=O)SC(N3CC2CCCO2)=S)=O)cc1OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8282 |
| logD: | 2.8282 |
| logSw: | -3.3244 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.794 |
| InChI Key: | BGDZUKBSOHXWDZ-HXUWFJFHSA-N |