N-[(2-chloro-4-fluorophenyl)methyl]-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-[(2-chloro-4-fluorophenyl)methyl]-2-(2,7-dimethyl-5-oxopyrrolo[3,2-d][1,3,4]thiadiazolo[3,2-a]pyrimidin-6(5H)-yl)acetamide
N-[(2-chloro-4-fluorophenyl)methyl]-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: | P580-0894 |
| Compound Name: | N-[(2-chloro-4-fluorophenyl)methyl]-2-(2,7-dimethyl-5-oxopyrrolo[3,2-d][1,3,4]thiadiazolo[3,2-a]pyrimidin-6(5H)-yl)acetamide |
| Molecular Weight: | 419.86 |
| Molecular Formula: | C18 H15 Cl F N5 O2 S |
| Smiles: | CC1=NN2C(=Nc3cc(C)n(CC(NCc4ccc(cc4[Cl])F)=O)c3C2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.1182 |
| logD: | 3.1178 |
| logSw: | -3.4663 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.009 |
| InChI Key: | UOJSHQWXKSWSEU-UHFFFAOYSA-N |