5-{4-[3-(benzylamino)-4-nitrophenyl]piperazine-1-sulfonyl}-6-methylpyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
5-{4-[3-(benzylamino)-4-nitrophenyl]piperazine-1-sulfonyl}-6-methylpyrimidine-2,4(1H,3H)-dione
5-{4-[3-(benzylamino)-4-nitrophenyl]piperazine-1-sulfonyl}-6-methylpyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | K893-0285 |
| Compound Name: | 5-{4-[3-(benzylamino)-4-nitrophenyl]piperazine-1-sulfonyl}-6-methylpyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 500.53 |
| Molecular Formula: | C22 H24 N6 O6 S |
| Smiles: | CC1=C(C(NC(N1)=O)=O)S(N1CCN(CC1)c1ccc(c(c1)NCc1ccccc1)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5822 |
| logD: | -1.1851 |
| logSw: | -2.6919 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 126.361 |
| InChI Key: | ZMAUESZRBUDBIY-UHFFFAOYSA-N |