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-[2-(4-sulfamoylphenyl)ethyl]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-[2-(4-sulfamoylphenyl)ethyl]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-[2-(4-sulfamoylphenyl)ethyl]acetamide
Compound characteristics
| Compound ID: | K286-4245 |
| 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-[2-(4-sulfamoylphenyl)ethyl]acetamide |
| Molecular Weight: | 631.75 |
| Molecular Formula: | C26 H22 F N5 O5 S4 |
| Smiles: | C(CNC(CSC1=NC2=C(C(N1c1ccc(cc1)F)=O)SC(N2Cc1ccco1)=S)=O)c1ccc(cc1)S(N)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4824 |
| logD: | 2.4817 |
| logSw: | -2.8718 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 110.231 |
| InChI Key: | VLFBRTPLMNCWBA-UHFFFAOYSA-N |