5-{4-[3-(2,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]piperazine-1-sulfonyl}-6-methylpyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
5-{4-[3-(2,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]piperazine-1-sulfonyl}-6-methylpyrimidine-2,4(1H,3H)-dione
5-{4-[3-(2,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]piperazine-1-sulfonyl}-6-methylpyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | E687-0311 |
| Compound Name: | 5-{4-[3-(2,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]piperazine-1-sulfonyl}-6-methylpyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 472.52 |
| Molecular Formula: | C21 H24 N6 O5 S |
| Smiles: | CC1=C(C(NC(N1)=O)=O)S(N1CCN(CC1)C(c1cc(c2ccc(C)cc2C)n[nH]1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2645 |
| logD: | -1.5028 |
| logSw: | -2.5389 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 119.43 |
| InChI Key: | UMCDOXRKTKSLIM-UHFFFAOYSA-N |