N-(3-chloro-4-fluorophenyl)-2-[(6-methyl-7-oxo-3-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-2-[(6-methyl-7-oxo-3-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl]acetamide
N-(3-chloro-4-fluorophenyl)-2-[(6-methyl-7-oxo-3-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | F143-0069 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-2-[(6-methyl-7-oxo-3-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl]acetamide |
| Molecular Weight: | 493 |
| Molecular Formula: | C20 H14 Cl F N4 O2 S3 |
| Smiles: | CN1C(=NC2=C(C1=O)SC(N2c1ccccc1)=S)SCC(Nc1ccc(c(c1)[Cl])F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1391 |
| logD: | 4.1342 |
| logSw: | -4.4 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.753 |
| InChI Key: | MVMLBSHUHVROSD-UHFFFAOYSA-N |