N-{3-[3,5-dioxo-4-(2-phenylethyl)piperazin-1-yl]-3-oxopropyl}-2,1,3-benzothiadiazole-4-sulfonamide
Chemical Structure Depiction of
N-{3-[3,5-dioxo-4-(2-phenylethyl)piperazin-1-yl]-3-oxopropyl}-2,1,3-benzothiadiazole-4-sulfonamide
N-{3-[3,5-dioxo-4-(2-phenylethyl)piperazin-1-yl]-3-oxopropyl}-2,1,3-benzothiadiazole-4-sulfonamide
Compound characteristics
| Compound ID: | C105-2671 |
| Compound Name: | N-{3-[3,5-dioxo-4-(2-phenylethyl)piperazin-1-yl]-3-oxopropyl}-2,1,3-benzothiadiazole-4-sulfonamide |
| Molecular Weight: | 487.56 |
| Molecular Formula: | C21 H21 N5 O5 S2 |
| Smiles: | C(CNS(c1cccc2c1nsn2)(=O)=O)C(N1CC(N(CCc2ccccc2)C(C1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8364 |
| logD: | 0.8324 |
| logSw: | -2.2755 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 108.55 |
| InChI Key: | WTBBXCDWEWFXIJ-UHFFFAOYSA-N |