N-[2-(tert-butylsulfanyl)ethyl]-2-hydroxy-4-methyl-6-oxo-1,6-dihydropyrimidine-5-sulfonamide
Chemical Structure Depiction of
N-[2-(tert-butylsulfanyl)ethyl]-2-hydroxy-4-methyl-6-oxo-1,6-dihydropyrimidine-5-sulfonamide
N-[2-(tert-butylsulfanyl)ethyl]-2-hydroxy-4-methyl-6-oxo-1,6-dihydropyrimidine-5-sulfonamide
Compound characteristics
| Compound ID: | D698-0040 |
| Compound Name: | N-[2-(tert-butylsulfanyl)ethyl]-2-hydroxy-4-methyl-6-oxo-1,6-dihydropyrimidine-5-sulfonamide |
| Molecular Weight: | 321.41 |
| Molecular Formula: | C11 H19 N3 O4 S2 |
| Smiles: | CC1=C(C(NC(=N1)O)=O)S(NCCSC(C)(C)C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.1735 |
| logD: | -6.8104 |
| logSw: | -1.7443 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 93.89 |
| InChI Key: | LBBLGNAYLVWLBG-UHFFFAOYSA-N |