2-(2,7-dimethyl-5-oxopyrrolo[3,2-d][1,3,4]thiadiazolo[3,2-a]pyrimidin-6(5H)-yl)-N-[(4-fluorophenyl)methyl]acetamide
Chemical Structure Depiction of
2-(2,7-dimethyl-5-oxopyrrolo[3,2-d][1,3,4]thiadiazolo[3,2-a]pyrimidin-6(5H)-yl)-N-[(4-fluorophenyl)methyl]acetamide
2-(2,7-dimethyl-5-oxopyrrolo[3,2-d][1,3,4]thiadiazolo[3,2-a]pyrimidin-6(5H)-yl)-N-[(4-fluorophenyl)methyl]acetamide
Compound characteristics
| Compound ID: | P580-0886 |
| Compound Name: | 2-(2,7-dimethyl-5-oxopyrrolo[3,2-d][1,3,4]thiadiazolo[3,2-a]pyrimidin-6(5H)-yl)-N-[(4-fluorophenyl)methyl]acetamide |
| Molecular Weight: | 385.42 |
| Molecular Formula: | C18 H16 F N5 O2 S |
| Smiles: | CC1=NN2C(=Nc3cc(C)n(CC(NCc4ccc(cc4)F)=O)c3C2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 2.1243 |
| logD: | 2.124 |
| logSw: | -2.8056 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.009 |
| InChI Key: | OHTAPTNWVZAWDT-UHFFFAOYSA-N |