(2S)-N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)-4-(methylsulfanyl)butanamide
Chemical Structure Depiction of
(2S)-N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)-4-(methylsulfanyl)butanamide
(2S)-N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)-4-(methylsulfanyl)butanamide
Compound characteristics
| Compound ID: | Y043-6123 |
| Compound Name: | (2S)-N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)-4-(methylsulfanyl)butanamide |
| Molecular Weight: | 437.52 |
| Molecular Formula: | C22 H23 N5 O3 S |
| Smiles: | CSCC[C@@H](C(NCCc1nc2ccccc2[nH]1)=O)N1C(c2ccccc2NC1=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.8672 |
| logD: | 2.8536 |
| logSw: | -3.5925 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 84.214 |
| InChI Key: | UPYPEIPDSFDZRC-SFHVURJKSA-N |