N-[(4-fluorophenyl)methyl]-2-(6-oxo-5,6-dihydro-7H-pyrrolo[1,2-a][3,1,6]benzothiadiazocin-7-yl)acetamide
Chemical Structure Depiction of
N-[(4-fluorophenyl)methyl]-2-(6-oxo-5,6-dihydro-7H-pyrrolo[1,2-a][3,1,6]benzothiadiazocin-7-yl)acetamide
N-[(4-fluorophenyl)methyl]-2-(6-oxo-5,6-dihydro-7H-pyrrolo[1,2-a][3,1,6]benzothiadiazocin-7-yl)acetamide
Compound characteristics
Compound ID: | G596-0146 |
Compound Name: | N-[(4-fluorophenyl)methyl]-2-(6-oxo-5,6-dihydro-7H-pyrrolo[1,2-a][3,1,6]benzothiadiazocin-7-yl)acetamide |
Molecular Weight: | 395.45 |
Molecular Formula: | C21 H18 F N3 O2 S |
Smiles: | C(c1ccc(cc1)F)NC(CN1C(CSc2cccn2c2ccccc12)=O)=O |
Stereo: | ACHIRAL |
logP: | 3.2358 |
logD: | 3.2358 |
logSw: | -3.4634 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 40.779 |
InChI Key: | FGAHPADWSWAKMJ-UHFFFAOYSA-N |