5-(azepane-1-sulfonyl)-2-hydroxy-6-methylpyrimidin-4(3H)-one
Chemical Structure Depiction of
5-(azepane-1-sulfonyl)-2-hydroxy-6-methylpyrimidin-4(3H)-one
5-(azepane-1-sulfonyl)-2-hydroxy-6-methylpyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | D668-0311 |
| Compound Name: | 5-(azepane-1-sulfonyl)-2-hydroxy-6-methylpyrimidin-4(3H)-one |
| Molecular Weight: | 287.33 |
| Molecular Formula: | C11 H17 N3 O4 S |
| Smiles: | CC1=C(C(NC(=N1)O)=O)S(N1CCCCCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.3114 |
| logD: | -6.9482 |
| logSw: | -1.6605 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.061 |
| InChI Key: | CLQGKBRMIQHJJI-UHFFFAOYSA-N |