3-{1-[4-(3-chlorophenyl)piperazin-1-yl]-1-oxobutan-2-yl}-1,2,3-benzotriazin-4(3H)-one
Chemical Structure Depiction of
3-{1-[4-(3-chlorophenyl)piperazin-1-yl]-1-oxobutan-2-yl}-1,2,3-benzotriazin-4(3H)-one
3-{1-[4-(3-chlorophenyl)piperazin-1-yl]-1-oxobutan-2-yl}-1,2,3-benzotriazin-4(3H)-one
Compound characteristics
| Compound ID: | Y042-8981 |
| Compound Name: | 3-{1-[4-(3-chlorophenyl)piperazin-1-yl]-1-oxobutan-2-yl}-1,2,3-benzotriazin-4(3H)-one |
| Molecular Weight: | 411.89 |
| Molecular Formula: | C21 H22 Cl N5 O2 |
| Smiles: | CCC(C(N1CCN(CC1)c1cccc(c1)[Cl])=O)N1C(c2ccccc2N=N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2282 |
| logD: | 4.2282 |
| logSw: | -4.4312 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 59.231 |
| InChI Key: | KKTZKYSUYBGIQU-IBGZPJMESA-N |