3-[1-(4-benzylpiperazin-1-yl)-1-oxobutan-2-yl]-1,2,3-benzotriazin-4(3H)-one
Chemical Structure Depiction of
3-[1-(4-benzylpiperazin-1-yl)-1-oxobutan-2-yl]-1,2,3-benzotriazin-4(3H)-one
3-[1-(4-benzylpiperazin-1-yl)-1-oxobutan-2-yl]-1,2,3-benzotriazin-4(3H)-one
Compound characteristics
| Compound ID: | Y042-8978 |
| Compound Name: | 3-[1-(4-benzylpiperazin-1-yl)-1-oxobutan-2-yl]-1,2,3-benzotriazin-4(3H)-one |
| Molecular Weight: | 391.47 |
| Molecular Formula: | C22 H25 N5 O2 |
| Smiles: | CCC(C(N1CCN(CC1)Cc1ccccc1)=O)N1C(c2ccccc2N=N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3256 |
| logD: | 3.3012 |
| logSw: | -3.7739 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 59.511 |
| InChI Key: | INMIDAKUDAQPDW-FQEVSTJZSA-N |