N-[(1S)-1-(1-methyl-1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-6-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)hexanamide
Chemical Structure Depiction of
N-[(1S)-1-(1-methyl-1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-6-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)hexanamide
N-[(1S)-1-(1-methyl-1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-6-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)hexanamide
Compound characteristics
| Compound ID: | Y043-4999 |
| Compound Name: | N-[(1S)-1-(1-methyl-1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-6-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)hexanamide |
| Molecular Weight: | 478.62 |
| Molecular Formula: | C25 H30 N6 O2 S |
| Smiles: | Cn1c2ccccc2nc1[C@H](CCSC)NC(CCCCCN1C(c2ccccc2N=N1)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.7214 |
| logD: | 3.7175 |
| logSw: | -3.9337 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.023 |
| InChI Key: | XOSSNTAALQKETL-NRFANRHFSA-N |