6-methyl-5-[4-(4-nitrophenyl)piperazine-1-sulfonyl]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
6-methyl-5-[4-(4-nitrophenyl)piperazine-1-sulfonyl]pyrimidine-2,4(1H,3H)-dione
6-methyl-5-[4-(4-nitrophenyl)piperazine-1-sulfonyl]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | K893-0345 |
| Compound Name: | 6-methyl-5-[4-(4-nitrophenyl)piperazine-1-sulfonyl]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 395.39 |
| Molecular Formula: | C15 H17 N5 O6 S |
| Smiles: | CC1=C(C(NC(N1)=O)=O)S(N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.4869 |
| logD: | -2.2805 |
| logSw: | -2.4389 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 117.126 |
| InChI Key: | ITNBUUOPUOISEF-UHFFFAOYSA-N |