N-[(1S)-2-methyl-1-(1-methyl-1H-benzimidazol-2-yl)propyl]-4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanamide
Chemical Structure Depiction of
N-[(1S)-2-methyl-1-(1-methyl-1H-benzimidazol-2-yl)propyl]-4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanamide
N-[(1S)-2-methyl-1-(1-methyl-1H-benzimidazol-2-yl)propyl]-4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanamide
Compound characteristics
| Compound ID: | Y044-4474 |
| Compound Name: | N-[(1S)-2-methyl-1-(1-methyl-1H-benzimidazol-2-yl)propyl]-4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanamide |
| Molecular Weight: | 418.5 |
| Molecular Formula: | C23 H26 N6 O2 |
| Smiles: | CC(C)[C@@H](c1nc2ccccc2n1C)NC(CCCN1C(c2ccccc2N=N1)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.8402 |
| logD: | 2.8343 |
| logSw: | -3.6599 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.745 |
| InChI Key: | RINNORGHKPBUPY-NRFANRHFSA-N |