N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-2-(1-oxophthalazin-2(1H)-yl)acetamide
Chemical Structure Depiction of
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-2-(1-oxophthalazin-2(1H)-yl)acetamide
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-2-(1-oxophthalazin-2(1H)-yl)acetamide
Compound characteristics
| Compound ID: | Y042-6748 |
| Compound Name: | N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-2-(1-oxophthalazin-2(1H)-yl)acetamide |
| Molecular Weight: | 407.49 |
| Molecular Formula: | C21 H21 N5 O2 S |
| Smiles: | CSCC[C@@H](c1nc2ccccc2[nH]1)NC(CN1C(c2ccccc2C=N1)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.859 |
| logD: | 1.8554 |
| logSw: | -2.8554 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.623 |
| InChI Key: | YAEKCQWOBAAVEN-SFHVURJKSA-N |