N-[3-(cyclohexylsulfanyl)-5-nitrophenyl]-6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamide
Chemical Structure Depiction of
N-[3-(cyclohexylsulfanyl)-5-nitrophenyl]-6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamide
N-[3-(cyclohexylsulfanyl)-5-nitrophenyl]-6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamide
Compound characteristics
| Compound ID: | E214-0333 |
| Compound Name: | N-[3-(cyclohexylsulfanyl)-5-nitrophenyl]-6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamide |
| Molecular Weight: | 440.5 |
| Molecular Formula: | C17 H20 N4 O6 S2 |
| Smiles: | CC1=C(C(NC(N1)=O)=O)S(Nc1cc(cc(c1)SC1CCCCC1)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9814 |
| logD: | -0.9584 |
| logSw: | -3.4511 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 122.724 |
| InChI Key: | LLOTYQZIIKTWIA-UHFFFAOYSA-N |