N-(2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}ethyl)-2-hydroxy-4-methyl-6-oxo-1,6-dihydropyrimidine-5-sulfonamide
Chemical Structure Depiction of
N-(2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}ethyl)-2-hydroxy-4-methyl-6-oxo-1,6-dihydropyrimidine-5-sulfonamide
N-(2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}ethyl)-2-hydroxy-4-methyl-6-oxo-1,6-dihydropyrimidine-5-sulfonamide
Compound characteristics
| Compound ID: | D698-0039 |
| Compound Name: | N-(2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}ethyl)-2-hydroxy-4-methyl-6-oxo-1,6-dihydropyrimidine-5-sulfonamide |
| Molecular Weight: | 407.87 |
| Molecular Formula: | C14 H15 Cl F N3 O4 S2 |
| Smiles: | CC1=C(C(NC(=N1)O)=O)S(NCCSCc1c(cccc1[Cl])F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2419 |
| logD: | -5.3949 |
| logSw: | -2.5194 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 93.618 |
| InChI Key: | IULUXDKWUSOQEL-UHFFFAOYSA-N |