3-{1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-oxobutan-2-yl}-1,2,3-benzotriazin-4(3H)-one
Chemical Structure Depiction of
3-{1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-oxobutan-2-yl}-1,2,3-benzotriazin-4(3H)-one
3-{1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-oxobutan-2-yl}-1,2,3-benzotriazin-4(3H)-one
Compound characteristics
| Compound ID: | Y042-8977 |
| Compound Name: | 3-{1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-oxobutan-2-yl}-1,2,3-benzotriazin-4(3H)-one |
| Molecular Weight: | 405.5 |
| Molecular Formula: | C23 H27 N5 O2 |
| Smiles: | CCC(C(N1CCN(CC1)c1cccc(C)c1C)=O)N1C(c2ccccc2N=N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7682 |
| logD: | 4.7681 |
| logSw: | -4.5414 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 58.93 |
| InChI Key: | OCKKMEXJCJQLSI-FQEVSTJZSA-N |