(2S)-N-[(1H-benzimidazol-2-yl)methyl]-2-(2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)-4-(methylsulfanyl)butanamide
Chemical Structure Depiction of
(2S)-N-[(1H-benzimidazol-2-yl)methyl]-2-(2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)-4-(methylsulfanyl)butanamide
(2S)-N-[(1H-benzimidazol-2-yl)methyl]-2-(2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)-4-(methylsulfanyl)butanamide
Compound characteristics
| Compound ID: | Y043-6131 |
| Compound Name: | (2S)-N-[(1H-benzimidazol-2-yl)methyl]-2-(2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)-4-(methylsulfanyl)butanamide |
| Molecular Weight: | 423.49 |
| Molecular Formula: | C21 H21 N5 O3 S |
| Smiles: | CSCC[C@@H](C(NCc1nc2ccccc2[nH]1)=O)N1C(c2ccccc2NC1=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.7929 |
| logD: | 2.7911 |
| logSw: | -3.5811 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 84.372 |
| InChI Key: | WQLPPTQYLORQRT-KRWDZBQOSA-N |