2-(6-oxo-5,6-dihydro-7H-pyrrolo[1,2-a][3,1,6]benzothiadiazocin-7-yl)-N-[(pyridin-3-yl)methyl]acetamide
Chemical Structure Depiction of
2-(6-oxo-5,6-dihydro-7H-pyrrolo[1,2-a][3,1,6]benzothiadiazocin-7-yl)-N-[(pyridin-3-yl)methyl]acetamide
2-(6-oxo-5,6-dihydro-7H-pyrrolo[1,2-a][3,1,6]benzothiadiazocin-7-yl)-N-[(pyridin-3-yl)methyl]acetamide
Compound characteristics
| Compound ID: | G596-0054 |
| Compound Name: | 2-(6-oxo-5,6-dihydro-7H-pyrrolo[1,2-a][3,1,6]benzothiadiazocin-7-yl)-N-[(pyridin-3-yl)methyl]acetamide |
| Molecular Weight: | 378.45 |
| Molecular Formula: | C20 H18 N4 O2 S |
| Smiles: | C(c1cccnc1)NC(CN1C(CSc2cccn2c2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.979 |
| logD: | 1.9766 |
| logSw: | -1.9113 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.297 |
| InChI Key: | KUGMWVKRQLVVJS-UHFFFAOYSA-N |