3-benzyl-2-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}-6-(piperidin-1-yl)quinazolin-4(3H)-one
Chemical Structure Depiction of
3-benzyl-2-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}-6-(piperidin-1-yl)quinazolin-4(3H)-one
3-benzyl-2-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}-6-(piperidin-1-yl)quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | K284-4949 |
| Compound Name: | 3-benzyl-2-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}-6-(piperidin-1-yl)quinazolin-4(3H)-one |
| Molecular Weight: | 501.6 |
| Molecular Formula: | C28 H27 N3 O4 S |
| Smiles: | C1CCN(CC1)c1ccc2c(c1)C(N(Cc1ccccc1)C(=N2)SCC(c1ccc(c(c1)O)O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6386 |
| logD: | 4.4562 |
| logSw: | -4.2701 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.567 |
| InChI Key: | NBUCSBSRXADORA-UHFFFAOYSA-N |