(2S)-2-(2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)-4-(methylsulfanyl)-N-[2-oxo-2-(pyrrolidin-1-yl)ethyl]butanamide
Chemical Structure Depiction of
(2S)-2-(2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)-4-(methylsulfanyl)-N-[2-oxo-2-(pyrrolidin-1-yl)ethyl]butanamide
(2S)-2-(2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)-4-(methylsulfanyl)-N-[2-oxo-2-(pyrrolidin-1-yl)ethyl]butanamide
Compound characteristics
| Compound ID: | Y044-5102 |
| Compound Name: | (2S)-2-(2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)-4-(methylsulfanyl)-N-[2-oxo-2-(pyrrolidin-1-yl)ethyl]butanamide |
| Molecular Weight: | 404.49 |
| Molecular Formula: | C19 H24 N4 O4 S |
| Smiles: | CSCC[C@@H](C(NCC(N1CCCC1)=O)=O)N1C(c2ccccc2NC1=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.5168 |
| logD: | 1.5167 |
| logSw: | -2.3757 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.849 |
| InChI Key: | KRMNPDKARMCMIJ-HNNXBMFYSA-N |