N-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)acetyl]-L-phenylalanine
Chemical Structure Depiction of
N-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)acetyl]-L-phenylalanine
N-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)acetyl]-L-phenylalanine
Compound characteristics
| Compound ID: | Y040-2740 |
| Compound Name: | N-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)acetyl]-L-phenylalanine |
| Molecular Weight: | 352.35 |
| Molecular Formula: | C18 H16 N4 O4 |
| Smiles: | C(c1ccccc1)[C@@H](C(O)=O)NC(CN1C(c2ccccc2N=N1)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.7438 |
| logD: | -2.8889 |
| logSw: | -2.1439 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.443 |
| InChI Key: | ICGFHVUHHPOZQA-HNNXBMFYSA-N |