2-{[(5-benzyl-4-hydroxy-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]methyl}quinazolin-4(3H)-one
Chemical Structure Depiction of
2-{[(5-benzyl-4-hydroxy-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]methyl}quinazolin-4(3H)-one
2-{[(5-benzyl-4-hydroxy-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]methyl}quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | 8016-1229 |
| Compound Name: | 2-{[(5-benzyl-4-hydroxy-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]methyl}quinazolin-4(3H)-one |
| Molecular Weight: | 392.43 |
| Molecular Formula: | C20 H16 N4 O3 S |
| Smiles: | C(C1=C(N=C(NC1=O)SCC1NC(c2ccccc2N=1)=O)O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 1.808 |
| logD: | -1.4346 |
| logSw: | -2.6808 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 85.334 |
| InChI Key: | JFQSFWNRIJYFAZ-UHFFFAOYSA-N |