2-hydroxy-4-methyl-N-{2-[(4-methylphenyl)sulfanyl]ethyl}-6-oxo-1,6-dihydropyrimidine-5-sulfonamide
Chemical Structure Depiction of
2-hydroxy-4-methyl-N-{2-[(4-methylphenyl)sulfanyl]ethyl}-6-oxo-1,6-dihydropyrimidine-5-sulfonamide
2-hydroxy-4-methyl-N-{2-[(4-methylphenyl)sulfanyl]ethyl}-6-oxo-1,6-dihydropyrimidine-5-sulfonamide
Compound characteristics
| Compound ID: | D698-0044 |
| Compound Name: | 2-hydroxy-4-methyl-N-{2-[(4-methylphenyl)sulfanyl]ethyl}-6-oxo-1,6-dihydropyrimidine-5-sulfonamide |
| Molecular Weight: | 355.43 |
| Molecular Formula: | C14 H17 N3 O4 S2 |
| Smiles: | CC1=C(C(NC(=N1)O)=O)S(NCCSc1ccc(C)cc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8089 |
| logD: | -5.828 |
| logSw: | -2.3575 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 93.618 |
| InChI Key: | IYBGOBCEEHZNLD-UHFFFAOYSA-N |