N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamide
Chemical Structure Depiction of
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamide
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamide
Compound characteristics
| Compound ID: | Y042-6544 |
| Compound Name: | N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamide |
| Molecular Weight: | 362.39 |
| Molecular Formula: | C19 H18 N6 O2 |
| Smiles: | C[C@@H](c1nc2ccccc2[nH]1)NC(CCN1C(c2ccccc2N=N1)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.0814 |
| logD: | 2.0807 |
| logSw: | -2.8772 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.837 |
| InChI Key: | WHAGCAFJOMHYLF-LBPRGKRZSA-N |