3-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-6-(pyrrolidine-1-sulfonyl)-1,3-benzoxazol-2(3H)-one
Chemical Structure Depiction of
3-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-6-(pyrrolidine-1-sulfonyl)-1,3-benzoxazol-2(3H)-one
3-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-6-(pyrrolidine-1-sulfonyl)-1,3-benzoxazol-2(3H)-one
Compound characteristics
| Compound ID: | K906-2925 |
| Compound Name: | 3-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-6-(pyrrolidine-1-sulfonyl)-1,3-benzoxazol-2(3H)-one |
| Molecular Weight: | 488.54 |
| Molecular Formula: | C23 H25 F N4 O5 S |
| Smiles: | C1CCN(C1)S(c1ccc2c(c1)OC(N2CC(N1CCN(CC1)c1ccccc1F)=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2419 |
| logD: | 2.2419 |
| logSw: | -2.9759 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 74.496 |
| InChI Key: | FQRTVZSLIJTWBZ-UHFFFAOYSA-N |