N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-N-[(3-fluorophenyl)methyl]-2-nitrobenzamide
Chemical Structure Depiction of
N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-N-[(3-fluorophenyl)methyl]-2-nitrobenzamide
N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-N-[(3-fluorophenyl)methyl]-2-nitrobenzamide
Compound characteristics
| Compound ID: | D076-0151 |
| Compound Name: | N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-N-[(3-fluorophenyl)methyl]-2-nitrobenzamide |
| Molecular Weight: | 392.4 |
| Molecular Formula: | C18 H17 F N2 O5 S |
| Smiles: | C1CS(CC1N(Cc1cccc(c1)F)C(c1ccccc1[N+]([O-])=O)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.5794 |
| logD: | 1.5794 |
| logSw: | -2.5356 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 76.94 |
| InChI Key: | ZITWSRVTNCJLQD-OAHLLOKOSA-N |