N-(4-chloro-3-nitrophenyl)-6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamide
Chemical Structure Depiction of
N-(4-chloro-3-nitrophenyl)-6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamide
N-(4-chloro-3-nitrophenyl)-6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamide
Compound characteristics
| Compound ID: | E214-0042 |
| Compound Name: | N-(4-chloro-3-nitrophenyl)-6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamide |
| Molecular Weight: | 360.73 |
| Molecular Formula: | C11 H9 Cl N4 O6 S |
| Smiles: | CC1=C(C(NC(N1)=O)=O)S(Nc1ccc(c(c1)[N+]([O-])=O)[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.7952 |
| logD: | -4.7577 |
| logSw: | -2.9371 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 122.503 |
| InChI Key: | XJLAIVGXOJTTGS-UHFFFAOYSA-N |