N-(3-chloro-4-fluorophenyl)-2-(2,7-dimethyl-5-oxopyrrolo[3,2-d][1,3,4]thiadiazolo[3,2-a]pyrimidin-6(5H)-yl)acetamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-2-(2,7-dimethyl-5-oxopyrrolo[3,2-d][1,3,4]thiadiazolo[3,2-a]pyrimidin-6(5H)-yl)acetamide
N-(3-chloro-4-fluorophenyl)-2-(2,7-dimethyl-5-oxopyrrolo[3,2-d][1,3,4]thiadiazolo[3,2-a]pyrimidin-6(5H)-yl)acetamide
Compound characteristics
| Compound ID: | P580-0542 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-2-(2,7-dimethyl-5-oxopyrrolo[3,2-d][1,3,4]thiadiazolo[3,2-a]pyrimidin-6(5H)-yl)acetamide |
| Molecular Weight: | 405.84 |
| Molecular Formula: | C17 H13 Cl F N5 O2 S |
| Smiles: | CC1=NN2C(=Nc3cc(C)n(CC(Nc4ccc(c(c4)[Cl])F)=O)c3C2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.2477 |
| logD: | 3.2242 |
| logSw: | -3.5404 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.687 |
| InChI Key: | CPPLLQBEOBQLGG-UHFFFAOYSA-N |