4-{4-[6-(3-methylphenyl)pyrimidin-4-yl]piperazine-1-sulfonyl}-2,1,3-benzothiadiazole
Chemical Structure Depiction of
4-{4-[6-(3-methylphenyl)pyrimidin-4-yl]piperazine-1-sulfonyl}-2,1,3-benzothiadiazole
4-{4-[6-(3-methylphenyl)pyrimidin-4-yl]piperazine-1-sulfonyl}-2,1,3-benzothiadiazole
Compound characteristics
| Compound ID: | F727-0034 |
| Compound Name: | 4-{4-[6-(3-methylphenyl)pyrimidin-4-yl]piperazine-1-sulfonyl}-2,1,3-benzothiadiazole |
| Molecular Weight: | 452.56 |
| Molecular Formula: | C21 H20 N6 O2 S2 |
| Smiles: | Cc1cccc(c1)c1cc(ncn1)N1CCN(CC1)S(c1cccc2c1nsn2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4427 |
| logD: | 4.4364 |
| logSw: | -4.3451 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 75.164 |
| InChI Key: | ZTHJPQVYTGRGII-UHFFFAOYSA-N |