N-{1-[3,5-dioxo-4-(2-phenylethyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl}-2,1,3-benzothiadiazole-4-sulfonamide
Chemical Structure Depiction of
N-{1-[3,5-dioxo-4-(2-phenylethyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl}-2,1,3-benzothiadiazole-4-sulfonamide
N-{1-[3,5-dioxo-4-(2-phenylethyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl}-2,1,3-benzothiadiazole-4-sulfonamide
Compound characteristics
| Compound ID: | C481-1781 |
| Compound Name: | N-{1-[3,5-dioxo-4-(2-phenylethyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl}-2,1,3-benzothiadiazole-4-sulfonamide |
| Molecular Weight: | 563.65 |
| Molecular Formula: | C27 H25 N5 O5 S2 |
| Smiles: | C(CN1C(CN(CC1=O)C(C(Cc1ccccc1)NS(c1cccc2c1nsn2)(=O)=O)=O)=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2996 |
| logD: | 2.1124 |
| logSw: | -2.7764 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 108.809 |
| InChI Key: | PTSOLQKNXWCBHS-QFIPXVFZSA-N |