3-{(2S)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-oxopropan-2-yl}-1,2,3-benzotriazin-4(3H)-one
Chemical Structure Depiction of
3-{(2S)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-oxopropan-2-yl}-1,2,3-benzotriazin-4(3H)-one
3-{(2S)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-oxopropan-2-yl}-1,2,3-benzotriazin-4(3H)-one
Compound characteristics
| Compound ID: | Y040-2930 |
| Compound Name: | 3-{(2S)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-oxopropan-2-yl}-1,2,3-benzotriazin-4(3H)-one |
| Molecular Weight: | 391.47 |
| Molecular Formula: | C22 H25 N5 O2 |
| Smiles: | Cc1cccc(c1C)N1CCN(CC1)C([C@H](C)N1C(c2ccccc2N=N1)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 4.1333 |
| logD: | 4.1332 |
| logSw: | -4.294 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 59.345 |
| InChI Key: | RGIQYVWDAHUWDM-KRWDZBQOSA-N |