3-{4-[4-(4-fluorobenzene-1-sulfonyl)piperazin-1-yl]-4-oxobutyl}-1,2,3-benzotriazin-4(3H)-one
Chemical Structure Depiction of
3-{4-[4-(4-fluorobenzene-1-sulfonyl)piperazin-1-yl]-4-oxobutyl}-1,2,3-benzotriazin-4(3H)-one
3-{4-[4-(4-fluorobenzene-1-sulfonyl)piperazin-1-yl]-4-oxobutyl}-1,2,3-benzotriazin-4(3H)-one
Compound characteristics
| Compound ID: | Y040-5819 |
| Compound Name: | 3-{4-[4-(4-fluorobenzene-1-sulfonyl)piperazin-1-yl]-4-oxobutyl}-1,2,3-benzotriazin-4(3H)-one |
| Molecular Weight: | 459.5 |
| Molecular Formula: | C21 H22 F N5 O4 S |
| Smiles: | C(CC(N1CCN(CC1)S(c1ccc(cc1)F)(=O)=O)=O)CN1C(c2ccccc2N=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6762 |
| logD: | 1.6762 |
| logSw: | -2.6597 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 88.822 |
| InChI Key: | ZGOZVLYLHQEXEL-UHFFFAOYSA-N |