2-(6-oxo-5,6-dihydro-7H-pyrrolo[1,2-a][3,1,6]benzothiadiazocin-7-yl)-N-[3-(propylsulfanyl)propyl]acetamide
Chemical Structure Depiction of
2-(6-oxo-5,6-dihydro-7H-pyrrolo[1,2-a][3,1,6]benzothiadiazocin-7-yl)-N-[3-(propylsulfanyl)propyl]acetamide
2-(6-oxo-5,6-dihydro-7H-pyrrolo[1,2-a][3,1,6]benzothiadiazocin-7-yl)-N-[3-(propylsulfanyl)propyl]acetamide
Compound characteristics
| Compound ID: | G596-0272 |
| Compound Name: | 2-(6-oxo-5,6-dihydro-7H-pyrrolo[1,2-a][3,1,6]benzothiadiazocin-7-yl)-N-[3-(propylsulfanyl)propyl]acetamide |
| Molecular Weight: | 403.56 |
| Molecular Formula: | C20 H25 N3 O2 S2 |
| Smiles: | CCCSCCCNC(CN1C(CSc2cccn2c2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9561 |
| logD: | 2.9561 |
| logSw: | -3.349 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.892 |
| InChI Key: | BRNOVZOZTLIIDQ-UHFFFAOYSA-N |