N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-N-[(3-methoxyphenyl)methyl]-4-nitrobenzamide
Chemical Structure Depiction of
N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-N-[(3-methoxyphenyl)methyl]-4-nitrobenzamide
N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-N-[(3-methoxyphenyl)methyl]-4-nitrobenzamide
Compound characteristics
| Compound ID: | D076-0028 |
| Compound Name: | N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-N-[(3-methoxyphenyl)methyl]-4-nitrobenzamide |
| Molecular Weight: | 404.44 |
| Molecular Formula: | C19 H20 N2 O6 S |
| Smiles: | COc1cccc(CN(C2CCS(C2)(=O)=O)C(c2ccc(cc2)[N+]([O-])=O)=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9399 |
| logD: | 1.9399 |
| logSw: | -2.6724 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 84.785 |
| InChI Key: | AOFFKEBYYJFTTO-QGZVFWFLSA-N |