3-(2,1,3-benzothiadiazole-4-sulfonyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
Chemical Structure Depiction of
3-(2,1,3-benzothiadiazole-4-sulfonyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
3-(2,1,3-benzothiadiazole-4-sulfonyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
Compound characteristics
| Compound ID: | C105-0892 |
| Compound Name: | 3-(2,1,3-benzothiadiazole-4-sulfonyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one |
| Molecular Weight: | 446.55 |
| Molecular Formula: | C20 H22 N4 O4 S2 |
| Smiles: | COc1ccc(cc1)N1CCN(CC1)C(CCS(c1cccc2c1nsn2)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3836 |
| logD: | 2.3833 |
| logSw: | -2.5003 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 77.152 |
| InChI Key: | VWBQMYMRDNAMKI-UHFFFAOYSA-N |