(2S)-[6-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)hexanamido](phenyl)acetic acid
Chemical Structure Depiction of
(2S)-[6-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)hexanamido](phenyl)acetic acid
(2S)-[6-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)hexanamido](phenyl)acetic acid
Compound characteristics
| Compound ID: | Y040-8608 |
| Compound Name: | (2S)-[6-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)hexanamido](phenyl)acetic acid |
| Molecular Weight: | 394.43 |
| Molecular Formula: | C21 H22 N4 O4 |
| Smiles: | C(CCC(N[C@H](C(O)=O)c1ccccc1)=O)CCN1C(c2ccccc2N=N1)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.8196 |
| logD: | -2.0548 |
| logSw: | -2.508 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.143 |
| InChI Key: | VJKFUTYQCZUXNF-LJQANCHMSA-N |