N-[(5-methylfuran-2-yl)methyl]-2-(6-oxo-5,6-dihydro-7H-pyrrolo[1,2-a][3,1,6]benzothiadiazocin-7-yl)acetamide
Chemical Structure Depiction of
N-[(5-methylfuran-2-yl)methyl]-2-(6-oxo-5,6-dihydro-7H-pyrrolo[1,2-a][3,1,6]benzothiadiazocin-7-yl)acetamide
N-[(5-methylfuran-2-yl)methyl]-2-(6-oxo-5,6-dihydro-7H-pyrrolo[1,2-a][3,1,6]benzothiadiazocin-7-yl)acetamide
Compound characteristics
| Compound ID: | G596-0178 |
| Compound Name: | N-[(5-methylfuran-2-yl)methyl]-2-(6-oxo-5,6-dihydro-7H-pyrrolo[1,2-a][3,1,6]benzothiadiazocin-7-yl)acetamide |
| Molecular Weight: | 381.45 |
| Molecular Formula: | C20 H19 N3 O3 S |
| Smiles: | [H]N(Cc1ccc(C)o1)C(CN1C(CSc2cccn2c2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2642 |
| logD: | 3.2642 |
| logSw: | -3.4683 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.042 |
| InChI Key: | QDQAWXUIXHMDDK-UHFFFAOYSA-N |