3-{4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutyl}-1,2,3-benzotriazin-4(3H)-one
Chemical Structure Depiction of
3-{4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutyl}-1,2,3-benzotriazin-4(3H)-one
3-{4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutyl}-1,2,3-benzotriazin-4(3H)-one
Compound characteristics
| Compound ID: | Y040-8735 |
| Compound Name: | 3-{4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutyl}-1,2,3-benzotriazin-4(3H)-one |
| Molecular Weight: | 411.89 |
| Molecular Formula: | C21 H22 Cl N5 O2 |
| Smiles: | C(CC(N1CCN(CC1)c1cccc(c1)[Cl])=O)CN1C(c2ccccc2N=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8033 |
| logD: | 2.8033 |
| logSw: | -3.7083 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 60.564 |
| InChI Key: | YLZKPSHEKDRPRM-UHFFFAOYSA-N |