S-(3-acetyl-5-oxo-4,5-dihydro-3H-6,1,3-benzothiadiazocin-2-yl) ethanethioate
Chemical Structure Depiction of
S-(3-acetyl-5-oxo-4,5-dihydro-3H-6,1,3-benzothiadiazocin-2-yl) ethanethioate
S-(3-acetyl-5-oxo-4,5-dihydro-3H-6,1,3-benzothiadiazocin-2-yl) ethanethioate
Compound characteristics
| Compound ID: | 8016-4271 |
| Compound Name: | S-(3-acetyl-5-oxo-4,5-dihydro-3H-6,1,3-benzothiadiazocin-2-yl) ethanethioate |
| Molecular Weight: | 308.38 |
| Molecular Formula: | C13 H12 N2 O3 S2 |
| Smiles: | CC(N1CC(=O)Sc2ccccc2/N=C\1SC(C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7844 |
| logD: | 1.7844 |
| logSw: | -2.3212 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 53.791 |
| InChI Key: | GANWUUDBSRFHKR-UHFFFAOYSA-N |