3-{(2S)-1-[4-(3-chlorophenyl)piperazin-1-yl]-1-oxopropan-2-yl}-1,2,3-benzotriazin-4(3H)-one
Chemical Structure Depiction of
3-{(2S)-1-[4-(3-chlorophenyl)piperazin-1-yl]-1-oxopropan-2-yl}-1,2,3-benzotriazin-4(3H)-one
3-{(2S)-1-[4-(3-chlorophenyl)piperazin-1-yl]-1-oxopropan-2-yl}-1,2,3-benzotriazin-4(3H)-one
Compound characteristics
| Compound ID: | Y042-8969 |
| Compound Name: | 3-{(2S)-1-[4-(3-chlorophenyl)piperazin-1-yl]-1-oxopropan-2-yl}-1,2,3-benzotriazin-4(3H)-one |
| Molecular Weight: | 397.86 |
| Molecular Formula: | C20 H20 Cl N5 O2 |
| Smiles: | C[C@@H](C(N1CCN(CC1)c1cccc(c1)[Cl])=O)N1C(c2ccccc2N=N1)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.5934 |
| logD: | 3.5934 |
| logSw: | -3.7694 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 59.646 |
| InChI Key: | UEIKDJNKHDPMBP-AWEZNQCLSA-N |