N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-4-(4-oxoquinazolin-3(4H)-yl)butanamide
Chemical Structure Depiction of
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-4-(4-oxoquinazolin-3(4H)-yl)butanamide
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-4-(4-oxoquinazolin-3(4H)-yl)butanamide
Compound characteristics
| Compound ID: | Y042-6728 |
| Compound Name: | N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-4-(4-oxoquinazolin-3(4H)-yl)butanamide |
| Molecular Weight: | 435.55 |
| Molecular Formula: | C23 H25 N5 O2 S |
| Smiles: | CSCC[C@@H](c1nc2ccccc2[nH]1)NC(CCCN1C=Nc2ccccc2C1=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.6682 |
| logD: | 1.6675 |
| logSw: | -2.5689 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.71 |
| InChI Key: | STHSOSLLIVMYIU-FQEVSTJZSA-N |