N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-2-(7,8-dimethoxy-1-oxophthalazin-2(1H)-yl)acetamide
Chemical Structure Depiction of
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-2-(7,8-dimethoxy-1-oxophthalazin-2(1H)-yl)acetamide
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-2-(7,8-dimethoxy-1-oxophthalazin-2(1H)-yl)acetamide
Compound characteristics
| Compound ID: | Y042-6749 |
| Compound Name: | N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-2-(7,8-dimethoxy-1-oxophthalazin-2(1H)-yl)acetamide |
| Molecular Weight: | 467.55 |
| Molecular Formula: | C23 H25 N5 O4 S |
| Smiles: | COc1ccc2C=NN(CC(N[C@@H](CCSC)c3nc4ccccc4[nH]3)=O)C(c2c1OC)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.0628 |
| logD: | 2.0591 |
| logSw: | -2.6881 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.97 |
| InChI Key: | UJHHCMFCGHQVDU-KRWDZBQOSA-N |