3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)-N-[(2S)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-2-phenylpropyl]propanamide
Chemical Structure Depiction of
3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)-N-[(2S)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-2-phenylpropyl]propanamide
3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)-N-[(2S)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-2-phenylpropyl]propanamide
Compound characteristics
| Compound ID: | D754-0229 |
| Compound Name: | 3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)-N-[(2S)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-2-phenylpropyl]propanamide |
| Molecular Weight: | 467.53 |
| Molecular Formula: | C27 H25 N5 O3 |
| Smiles: | C(CN1C(c2ccccc2N=N1)=O)C(NC[C@@H](CN1Cc2ccccc2C1=O)c1ccccc1)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.3578 |
| logD: | 3.3578 |
| logSw: | -3.6251 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.029 |
| InChI Key: | AMMVGLCLKZKWMP-NRFANRHFSA-N |