2-{[(4,6-dihydroxypyrimidin-2-yl)sulfanyl]methyl}quinazolin-4(3H)-one
Chemical Structure Depiction of
2-{[(4,6-dihydroxypyrimidin-2-yl)sulfanyl]methyl}quinazolin-4(3H)-one
2-{[(4,6-dihydroxypyrimidin-2-yl)sulfanyl]methyl}quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | 8016-9412 |
| Compound Name: | 2-{[(4,6-dihydroxypyrimidin-2-yl)sulfanyl]methyl}quinazolin-4(3H)-one |
| Molecular Weight: | 302.31 |
| Molecular Formula: | C13 H10 N4 O3 S |
| Smiles: | C(C1NC(c2ccccc2N=1)=O)Sc1nc(cc(n1)O)O |
| Stereo: | ACHIRAL |
| logP: | 0.8102 |
| logD: | 0.4556 |
| logSw: | -2.483 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 86.711 |
| InChI Key: | KGHAJUUBKHAXLK-UHFFFAOYSA-N |