3-[(2S)-4-(methylsulfanyl)-1-oxo-1-(thiomorpholin-4-yl)butan-2-yl]quinazoline-2,4(1H,3H)-dione
Chemical Structure Depiction of
3-[(2S)-4-(methylsulfanyl)-1-oxo-1-(thiomorpholin-4-yl)butan-2-yl]quinazoline-2,4(1H,3H)-dione
3-[(2S)-4-(methylsulfanyl)-1-oxo-1-(thiomorpholin-4-yl)butan-2-yl]quinazoline-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | Y043-6121 |
| Compound Name: | 3-[(2S)-4-(methylsulfanyl)-1-oxo-1-(thiomorpholin-4-yl)butan-2-yl]quinazoline-2,4(1H,3H)-dione |
| Molecular Weight: | 379.5 |
| Molecular Formula: | C17 H21 N3 O3 S2 |
| Smiles: | CSCC[C@@H](C(N1CCSCC1)=O)N1C(c2ccccc2NC1=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.9687 |
| logD: | 1.9686 |
| logSw: | -2.8138 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.326 |
| InChI Key: | MRPWEMSKHXVBPV-AWEZNQCLSA-N |