3-[(2S)-1-(4-methylpiperazin-1-yl)-4-(methylsulfanyl)-1-oxobutan-2-yl]quinazoline-2,4(1H,3H)-dione
Chemical Structure Depiction of
3-[(2S)-1-(4-methylpiperazin-1-yl)-4-(methylsulfanyl)-1-oxobutan-2-yl]quinazoline-2,4(1H,3H)-dione
3-[(2S)-1-(4-methylpiperazin-1-yl)-4-(methylsulfanyl)-1-oxobutan-2-yl]quinazoline-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | Y044-5103 |
| Compound Name: | 3-[(2S)-1-(4-methylpiperazin-1-yl)-4-(methylsulfanyl)-1-oxobutan-2-yl]quinazoline-2,4(1H,3H)-dione |
| Molecular Weight: | 376.48 |
| Molecular Formula: | C18 H24 N4 O3 S |
| Smiles: | CN1CCN(CC1)C([C@H](CCSC)N1C(c2ccccc2NC1=O)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.362 |
| logD: | 1.1678 |
| logSw: | -2.3988 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.802 |
| InChI Key: | GDGGYBZVOFBZPR-HNNXBMFYSA-N |