methyl 3-[(2-hydroxy-4-methyl-6-oxo-1,6-dihydropyrimidine-5-sulfonyl)amino]benzoate
Chemical Structure Depiction of
methyl 3-[(2-hydroxy-4-methyl-6-oxo-1,6-dihydropyrimidine-5-sulfonyl)amino]benzoate
methyl 3-[(2-hydroxy-4-methyl-6-oxo-1,6-dihydropyrimidine-5-sulfonyl)amino]benzoate
Compound characteristics
| Compound ID: | D698-0047 |
| Compound Name: | methyl 3-[(2-hydroxy-4-methyl-6-oxo-1,6-dihydropyrimidine-5-sulfonyl)amino]benzoate |
| Molecular Weight: | 339.32 |
| Molecular Formula: | C13 H13 N3 O6 S |
| Smiles: | CC1=C(C(NC(=N1)O)=O)S(Nc1cccc(c1)C(=O)OC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.2664 |
| logD: | -6.6615 |
| logSw: | -2.2578 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 113.842 |
| InChI Key: | JKQNJOPWJWNHGL-UHFFFAOYSA-N |