5-{4-[3-(4-bromophenyl)-1H-pyrazole-5-carbonyl]piperazine-1-sulfonyl}-6-methylpyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
5-{4-[3-(4-bromophenyl)-1H-pyrazole-5-carbonyl]piperazine-1-sulfonyl}-6-methylpyrimidine-2,4(1H,3H)-dione
5-{4-[3-(4-bromophenyl)-1H-pyrazole-5-carbonyl]piperazine-1-sulfonyl}-6-methylpyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | E687-0359 |
| Compound Name: | 5-{4-[3-(4-bromophenyl)-1H-pyrazole-5-carbonyl]piperazine-1-sulfonyl}-6-methylpyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 523.36 |
| Molecular Formula: | C19 H19 Br N6 O5 S |
| Smiles: | CC1=C(C(NC(N1)=O)=O)S(N1CCN(CC1)C(c1cc(c2ccc(cc2)[Br])n[nH]1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.404 |
| logD: | -1.3634 |
| logSw: | -2.5039 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 119.43 |
| InChI Key: | CMUTUECQBJOWQT-UHFFFAOYSA-N |