N-[2-(3,4-dimethoxyphenyl)ethyl]-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)acetamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-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)acetamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-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)acetamide
Compound characteristics
| Compound ID: | K286-4243 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-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)acetamide |
| Molecular Weight: | 612.72 |
| Molecular Formula: | C28 H25 F N4 O5 S3 |
| Smiles: | COc1ccc(CCNC(CSC2=NC3=C(C(N2c2ccc(cc2)F)=O)SC(N3Cc2ccco2)=S)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.6389 |
| logD: | 3.6389 |
| logSw: | -4.0531 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.889 |
| InChI Key: | OQTGQTRQXQVHLM-UHFFFAOYSA-N |