methyl N-[4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanoyl]-L-phenylalaninate
Chemical Structure Depiction of
methyl N-[4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanoyl]-L-phenylalaninate
methyl N-[4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanoyl]-L-phenylalaninate
Compound characteristics
| Compound ID: | Y041-5022 |
| Compound Name: | methyl N-[4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanoyl]-L-phenylalaninate |
| Molecular Weight: | 394.43 |
| Molecular Formula: | C21 H22 N4 O4 |
| Smiles: | COC([C@H](Cc1ccccc1)NC(CCCN1C(c2ccccc2N=N1)=O)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.7932 |
| logD: | 1.7932 |
| logSw: | -2.4335 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.187 |
| InChI Key: | QIJNDQUSHZBIBP-SFHVURJKSA-N |