5-[4-(2,1,3-benzothiadiazole-4-sulfonyl)piperazin-1-yl]-3,6-dimethyl-1-phenylpyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
5-[4-(2,1,3-benzothiadiazole-4-sulfonyl)piperazin-1-yl]-3,6-dimethyl-1-phenylpyrimidine-2,4(1H,3H)-dione
5-[4-(2,1,3-benzothiadiazole-4-sulfonyl)piperazin-1-yl]-3,6-dimethyl-1-phenylpyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | F669-0181 |
| Compound Name: | 5-[4-(2,1,3-benzothiadiazole-4-sulfonyl)piperazin-1-yl]-3,6-dimethyl-1-phenylpyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 498.58 |
| Molecular Formula: | C22 H22 N6 O4 S2 |
| Smiles: | CC1=C(C(N(C)C(N1c1ccccc1)=O)=O)N1CCN(CC1)S(c1cccc2c1nsn2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3901 |
| logD: | 2.39 |
| logSw: | -2.436 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 87.036 |
| InChI Key: | VOXFVKJGEBFRCI-UHFFFAOYSA-N |