methyl {1-[(2S)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]piperidin-4-yl}acetate
Chemical Structure Depiction of
methyl {1-[(2S)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]piperidin-4-yl}acetate
methyl {1-[(2S)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]piperidin-4-yl}acetate
Compound characteristics
| Compound ID: | Y041-4360 |
| Compound Name: | methyl {1-[(2S)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]piperidin-4-yl}acetate |
| Molecular Weight: | 358.4 |
| Molecular Formula: | C18 H22 N4 O4 |
| Smiles: | C[C@@H](C(N1CCC(CC1)CC(=O)OC)=O)N1C(c2ccccc2N=N1)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.2778 |
| logD: | 2.2778 |
| logSw: | -2.801 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 76.965 |
| InChI Key: | VLNIHKRETGNMJG-LBPRGKRZSA-N |