6-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-2,7-dimethylpyrrolo[3,2-d][1,3,4]thiadiazolo[3,2-a]pyrimidin-5(6H)-one
Chemical Structure Depiction of
6-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-2,7-dimethylpyrrolo[3,2-d][1,3,4]thiadiazolo[3,2-a]pyrimidin-5(6H)-one
6-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-2,7-dimethylpyrrolo[3,2-d][1,3,4]thiadiazolo[3,2-a]pyrimidin-5(6H)-one
Compound characteristics
| Compound ID: | P580-0283 |
| Compound Name: | 6-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-2,7-dimethylpyrrolo[3,2-d][1,3,4]thiadiazolo[3,2-a]pyrimidin-5(6H)-one |
| Molecular Weight: | 440.5 |
| Molecular Formula: | C21 H21 F N6 O2 S |
| Smiles: | CC1=NN2C(=Nc3cc(C)n(CC(N4CCN(CC4)c4ccc(cc4)F)=O)c3C2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 2.2531 |
| logD: | 2.2527 |
| logSw: | -2.694 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.19 |
| InChI Key: | BUHTXUJKNCOPLZ-UHFFFAOYSA-N |