3-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-2-methyl-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one
Chemical Structure Depiction of
3-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-2-methyl-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one
3-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-2-methyl-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one
Compound characteristics
| Compound ID: | F441-0063 |
| Compound Name: | 3-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-2-methyl-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one |
| Molecular Weight: | 458.53 |
| Molecular Formula: | C21 H19 F N4 O3 S2 |
| Smiles: | CC1=C(C(N2C(=N1)Sc1ccccc12)=O)S(N1CCN(CC1)c1ccccc1F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.61 |
| logD: | 2.61 |
| logSw: | -2.9164 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 59.354 |
| InChI Key: | LMQURHSYEOFNCC-UHFFFAOYSA-N |