N-[(5-bromo-2-methoxyphenyl)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-bromo-2-methoxyphenyl)methyl]-2-(6-oxo-5,6-dihydro-7H-pyrrolo[1,2-a][3,1,6]benzothiadiazocin-7-yl)acetamide
N-[(5-bromo-2-methoxyphenyl)methyl]-2-(6-oxo-5,6-dihydro-7H-pyrrolo[1,2-a][3,1,6]benzothiadiazocin-7-yl)acetamide
Compound characteristics
| Compound ID: | G596-0269 |
| Compound Name: | N-[(5-bromo-2-methoxyphenyl)methyl]-2-(6-oxo-5,6-dihydro-7H-pyrrolo[1,2-a][3,1,6]benzothiadiazocin-7-yl)acetamide |
| Molecular Weight: | 486.39 |
| Molecular Formula: | C22 H20 Br N3 O3 S |
| Smiles: | COc1ccc(cc1CNC(CN1C(CSc2cccn2c2ccccc12)=O)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.1 |
| logD: | 4.1 |
| logSw: | -4.2568 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.409 |
| InChI Key: | GUKQKCWXJRAKRV-UHFFFAOYSA-N |