2-{[3-benzyl-4-oxo-6-(piperidin-1-yl)-3,4-dihydroquinazolin-2-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide
Chemical Structure Depiction of
2-{[3-benzyl-4-oxo-6-(piperidin-1-yl)-3,4-dihydroquinazolin-2-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide
2-{[3-benzyl-4-oxo-6-(piperidin-1-yl)-3,4-dihydroquinazolin-2-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | K284-4972 |
| Compound Name: | 2-{[3-benzyl-4-oxo-6-(piperidin-1-yl)-3,4-dihydroquinazolin-2-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide |
| Molecular Weight: | 512.67 |
| Molecular Formula: | C30 H32 N4 O2 S |
| Smiles: | Cc1ccc(CNC(CSC2=Nc3ccc(cc3C(N2Cc2ccccc2)=O)N2CCCCC2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.2853 |
| logD: | 5.2853 |
| logSw: | -5.1714 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.695 |
| InChI Key: | ZCBBYQYMLXBORC-UHFFFAOYSA-N |