2-(6-oxo-5,6-dihydro-7H-pyrrolo[1,2-a][3,1,6]benzothiadiazocin-7-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
Chemical Structure Depiction of
2-(6-oxo-5,6-dihydro-7H-pyrrolo[1,2-a][3,1,6]benzothiadiazocin-7-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
2-(6-oxo-5,6-dihydro-7H-pyrrolo[1,2-a][3,1,6]benzothiadiazocin-7-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
Compound characteristics
| Compound ID: | G596-0150 |
| Compound Name: | 2-(6-oxo-5,6-dihydro-7H-pyrrolo[1,2-a][3,1,6]benzothiadiazocin-7-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide |
| Molecular Weight: | 417.53 |
| Molecular Formula: | C24 H23 N3 O2 S |
| Smiles: | C1CC(c2ccccc2C1)NC(CN1C(CSc2cccn2c2ccccc12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1613 |
| logD: | 4.1613 |
| logSw: | -4.2918 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.623 |
| InChI Key: | CAOVCMMPULQIKN-IBGZPJMESA-N |