N-{(1S)-2-methyl-1-[1-(propan-2-yl)-1H-benzimidazol-2-yl]propyl}-3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamide
Chemical Structure Depiction of
N-{(1S)-2-methyl-1-[1-(propan-2-yl)-1H-benzimidazol-2-yl]propyl}-3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamide
N-{(1S)-2-methyl-1-[1-(propan-2-yl)-1H-benzimidazol-2-yl]propyl}-3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamide
Compound characteristics
| Compound ID: | Y042-7617 |
| Compound Name: | N-{(1S)-2-methyl-1-[1-(propan-2-yl)-1H-benzimidazol-2-yl]propyl}-3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamide |
| Molecular Weight: | 432.52 |
| Molecular Formula: | C24 H28 N6 O2 |
| Smiles: | CC(C)[C@@H](c1nc2ccccc2n1C(C)C)NC(CCN1C(c2ccccc2N=N1)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.972 |
| logD: | 3.9719 |
| logSw: | -4.1541 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.01 |
| InChI Key: | JZKUFBYSZOZQFQ-QFIPXVFZSA-N |