3-{2-[4-(4-fluorobenzene-1-sulfonyl)piperazin-1-yl]-2-oxoethyl}-1,2,3-benzotriazin-4(3H)-one
Chemical Structure Depiction of
3-{2-[4-(4-fluorobenzene-1-sulfonyl)piperazin-1-yl]-2-oxoethyl}-1,2,3-benzotriazin-4(3H)-one
3-{2-[4-(4-fluorobenzene-1-sulfonyl)piperazin-1-yl]-2-oxoethyl}-1,2,3-benzotriazin-4(3H)-one
Compound characteristics
| Compound ID: | Y040-5830 |
| Compound Name: | 3-{2-[4-(4-fluorobenzene-1-sulfonyl)piperazin-1-yl]-2-oxoethyl}-1,2,3-benzotriazin-4(3H)-one |
| Molecular Weight: | 431.44 |
| Molecular Formula: | C19 H18 F N5 O4 S |
| Smiles: | C1CN(CCN1C(CN1C(c2ccccc2N=N1)=O)=O)S(c1ccc(cc1)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4777 |
| logD: | 1.4777 |
| logSw: | -2.5342 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 88.844 |
| InChI Key: | GIITWYPVVSIKSJ-UHFFFAOYSA-N |