N-(2-{[(furan-2-yl)methyl]sulfanyl}ethyl)-2-(6-oxo-5,6-dihydro-7H-pyrrolo[1,2-a][3,1,6]benzothiadiazocin-7-yl)acetamide
Chemical Structure Depiction of
N-(2-{[(furan-2-yl)methyl]sulfanyl}ethyl)-2-(6-oxo-5,6-dihydro-7H-pyrrolo[1,2-a][3,1,6]benzothiadiazocin-7-yl)acetamide
N-(2-{[(furan-2-yl)methyl]sulfanyl}ethyl)-2-(6-oxo-5,6-dihydro-7H-pyrrolo[1,2-a][3,1,6]benzothiadiazocin-7-yl)acetamide
Compound characteristics
| Compound ID: | G596-0271 |
| Compound Name: | N-(2-{[(furan-2-yl)methyl]sulfanyl}ethyl)-2-(6-oxo-5,6-dihydro-7H-pyrrolo[1,2-a][3,1,6]benzothiadiazocin-7-yl)acetamide |
| Molecular Weight: | 427.54 |
| Molecular Formula: | C21 H21 N3 O3 S2 |
| Smiles: | C(CSCc1ccco1)NC(CN1C(CSc2cccn2c2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1126 |
| logD: | 3.1126 |
| logSw: | -3.3351 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.369 |
| InChI Key: | HZNPBPAERCHMLR-UHFFFAOYSA-N |