S-(3-acetyl-5-oxo-4,5-dihydro-3H-6,1,3-benzoxadiazocin-2-yl) ethanethioate
Chemical Structure Depiction of
S-(3-acetyl-5-oxo-4,5-dihydro-3H-6,1,3-benzoxadiazocin-2-yl) ethanethioate
S-(3-acetyl-5-oxo-4,5-dihydro-3H-6,1,3-benzoxadiazocin-2-yl) ethanethioate
Compound characteristics
| Compound ID: | 8015-5119 |
| Compound Name: | S-(3-acetyl-5-oxo-4,5-dihydro-3H-6,1,3-benzoxadiazocin-2-yl) ethanethioate |
| Molecular Weight: | 292.31 |
| Molecular Formula: | C13 H12 N2 O4 S |
| Smiles: | CC(N1CC(=O)Oc2ccccc2/N=C\1SC(C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0523 |
| logD: | 1.0523 |
| logSw: | -2.149 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 61.103 |
| InChI Key: | BUPXKSGSCSSADV-UHFFFAOYSA-N |