(2S)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}propanamide
Chemical Structure Depiction of
(2S)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}propanamide
(2S)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}propanamide
Compound characteristics
| Compound ID: | Y043-3399 |
| Compound Name: | (2S)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}propanamide |
| Molecular Weight: | 375.39 |
| Molecular Formula: | C19 H17 N7 O2 |
| Smiles: | C[C@@H](C(Nc1ccc(Cn2cncn2)cc1)=O)N1C(c2ccccc2N=N1)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.8305 |
| logD: | 1.8305 |
| logSw: | -2.5735 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.805 |
| InChI Key: | NWWDMTQJFXBLRZ-ZDUSSCGKSA-N |