3-{(2S)-1-[4-(4-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl}-1,2,3-benzotriazin-4(3H)-one
Chemical Structure Depiction of
3-{(2S)-1-[4-(4-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl}-1,2,3-benzotriazin-4(3H)-one
3-{(2S)-1-[4-(4-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl}-1,2,3-benzotriazin-4(3H)-one
Compound characteristics
| Compound ID: | Y041-4939 |
| Compound Name: | 3-{(2S)-1-[4-(4-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl}-1,2,3-benzotriazin-4(3H)-one |
| Molecular Weight: | 393.44 |
| Molecular Formula: | C21 H23 N5 O3 |
| Smiles: | C[C@@H](C(N1CCN(CC1)c1ccc(cc1)OC)=O)N1C(c2ccccc2N=N1)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.1137 |
| logD: | 3.1131 |
| logSw: | -3.599 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 67.19 |
| InChI Key: | MTJPLAFGQJKYPY-HNNXBMFYSA-N |