2-(azepan-1-yl)-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Chemical Structure Depiction of
2-(azepan-1-yl)-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
2-(azepan-1-yl)-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Compound characteristics
| Compound ID: | F149-0583 |
| Compound Name: | 2-(azepan-1-yl)-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one |
| Molecular Weight: | 456.54 |
| Molecular Formula: | C22 H25 F N6 O2 S |
| Smiles: | C1CCCN(CC1)C1=NN2C(=CC(N=C2S1)=O)C(N1CCN(CC1)c1ccccc1F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1448 |
| logD: | 1.3989 |
| logSw: | -3.4189 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 60.952 |
| InChI Key: | YORNRDJWFLACOU-UHFFFAOYSA-N |