N-[(2-fluorophenyl)methyl]-2-(6-oxo-5,6-dihydro-7H-pyrrolo[1,2-a][3,1,6]benzothiadiazocin-7-yl)acetamide
Chemical Structure Depiction of
N-[(2-fluorophenyl)methyl]-2-(6-oxo-5,6-dihydro-7H-pyrrolo[1,2-a][3,1,6]benzothiadiazocin-7-yl)acetamide
N-[(2-fluorophenyl)methyl]-2-(6-oxo-5,6-dihydro-7H-pyrrolo[1,2-a][3,1,6]benzothiadiazocin-7-yl)acetamide
Compound characteristics
| Compound ID: | G596-0246 |
| Compound Name: | N-[(2-fluorophenyl)methyl]-2-(6-oxo-5,6-dihydro-7H-pyrrolo[1,2-a][3,1,6]benzothiadiazocin-7-yl)acetamide |
| Molecular Weight: | 395.45 |
| Molecular Formula: | C21 H18 F N3 O2 S |
| Smiles: | C(c1ccccc1F)NC(CN1C(CSc2cccn2c2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5811 |
| logD: | 3.5811 |
| logSw: | -3.6927 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.779 |
| InChI Key: | NDPSPVWVZLJJQI-UHFFFAOYSA-N |