N-[(1S)-1-(1-methyl-1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetamide
Chemical Structure Depiction of
N-[(1S)-1-(1-methyl-1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetamide
N-[(1S)-1-(1-methyl-1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetamide
Compound characteristics
| Compound ID: | Y042-7346 |
| Compound Name: | N-[(1S)-1-(1-methyl-1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetamide |
| Molecular Weight: | 421.52 |
| Molecular Formula: | C22 H23 N5 O2 S |
| Smiles: | Cn1c2ccccc2nc1[C@H](CCSC)NC(CC1c2ccccc2C(NN=1)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.2701 |
| logD: | 2.2672 |
| logSw: | -2.9371 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.374 |
| InChI Key: | QVXCUXAYBWOXSO-KRWDZBQOSA-N |