N-benzyl-2-{[3-(2-fluorophenyl)-6-(4-fluorophenyl)-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-benzyl-2-{[3-(2-fluorophenyl)-6-(4-fluorophenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide
N-benzyl-2-{[3-(2-fluorophenyl)-6-(4-fluorophenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | K286-3423 |
| Compound Name: | N-benzyl-2-{[3-(2-fluorophenyl)-6-(4-fluorophenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide |
| Molecular Weight: | 552.64 |
| Molecular Formula: | C26 H18 F2 N4 O2 S3 |
| Smiles: | C(c1ccccc1)NC(CSC1=NC2=C(C(N1c1ccc(cc1)F)=O)SC(N2c1ccccc1F)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6685 |
| logD: | 4.6685 |
| logSw: | -4.6564 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.125 |
| InChI Key: | XGMZUSHRTPKNBN-UHFFFAOYSA-N |