N-(butan-2-yl)-2-(6-oxo-5,6-dihydro-7H-pyrrolo[1,2-a][3,1,6]benzothiadiazocin-7-yl)acetamide
Chemical Structure Depiction of
N-(butan-2-yl)-2-(6-oxo-5,6-dihydro-7H-pyrrolo[1,2-a][3,1,6]benzothiadiazocin-7-yl)acetamide
N-(butan-2-yl)-2-(6-oxo-5,6-dihydro-7H-pyrrolo[1,2-a][3,1,6]benzothiadiazocin-7-yl)acetamide
Compound characteristics
| Compound ID: | G596-0070 |
| Compound Name: | N-(butan-2-yl)-2-(6-oxo-5,6-dihydro-7H-pyrrolo[1,2-a][3,1,6]benzothiadiazocin-7-yl)acetamide |
| Molecular Weight: | 343.45 |
| Molecular Formula: | C18 H21 N3 O2 S |
| Smiles: | CCC(C)NC(CN1C(CSc2cccn2c2ccccc12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6793 |
| logD: | 2.6793 |
| logSw: | -3.0036 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.492 |
| InChI Key: | VGZVLPCITNTLJD-ZDUSSCGKSA-N |