5-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-hydroxy-6-methylpyrimidin-4(3H)-one
Chemical Structure Depiction of
5-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-hydroxy-6-methylpyrimidin-4(3H)-one
5-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-hydroxy-6-methylpyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | D668-0325 |
| Compound Name: | 5-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-hydroxy-6-methylpyrimidin-4(3H)-one |
| Molecular Weight: | 321.35 |
| Molecular Formula: | C14 H15 N3 O4 S |
| Smiles: | CC1=C(C(NC(=N1)O)=O)S(N1CCc2ccccc2C1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.2317 |
| logD: | -6.4052 |
| logSw: | -2.2558 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.392 |
| InChI Key: | LEAJCTHNTYPTHH-UHFFFAOYSA-N |