3-(2,1,3-benzothiadiazole-4-sulfonyl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-1-one
Chemical Structure Depiction of
3-(2,1,3-benzothiadiazole-4-sulfonyl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-1-one
3-(2,1,3-benzothiadiazole-4-sulfonyl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-1-one
Compound characteristics
| Compound ID: | C105-0792 |
| Compound Name: | 3-(2,1,3-benzothiadiazole-4-sulfonyl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-1-one |
| Molecular Weight: | 444.57 |
| Molecular Formula: | C21 H24 N4 O3 S2 |
| Smiles: | Cc1cccc(c1C)N1CCN(CC1)C(CCS(c1cccc2c1nsn2)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4033 |
| logD: | 3.4032 |
| logSw: | -3.6582 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 69.308 |
| InChI Key: | OCQNMYFHWZJUNU-UHFFFAOYSA-N |