N-{2-[1-(2-methylpropyl)-1H-benzimidazol-2-yl]ethyl}-3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamide
Chemical Structure Depiction of
N-{2-[1-(2-methylpropyl)-1H-benzimidazol-2-yl]ethyl}-3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamide
N-{2-[1-(2-methylpropyl)-1H-benzimidazol-2-yl]ethyl}-3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamide
Compound characteristics
| Compound ID: | Y042-6921 |
| Compound Name: | N-{2-[1-(2-methylpropyl)-1H-benzimidazol-2-yl]ethyl}-3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamide |
| Molecular Weight: | 418.5 |
| Molecular Formula: | C23 H26 N6 O2 |
| Smiles: | CC(C)Cn1c2ccccc2nc1CCNC(CCN1C(c2ccccc2N=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2016 |
| logD: | 3.2009 |
| logSw: | -3.7171 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.4 |
| InChI Key: | KPWPRNIRKBUNOI-UHFFFAOYSA-N |