N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-N-[(3-methoxyphenyl)methyl]-2-(2-nitrophenoxy)acetamide
Chemical Structure Depiction of
N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-N-[(3-methoxyphenyl)methyl]-2-(2-nitrophenoxy)acetamide
N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-N-[(3-methoxyphenyl)methyl]-2-(2-nitrophenoxy)acetamide
Compound characteristics
| Compound ID: | D076-0019 |
| Compound Name: | N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-N-[(3-methoxyphenyl)methyl]-2-(2-nitrophenoxy)acetamide |
| Molecular Weight: | 434.47 |
| Molecular Formula: | C20 H22 N2 O7 S |
| Smiles: | COc1cccc(CN(C2CCS(C2)(=O)=O)C(COc2ccccc2[N+]([O-])=O)=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.5167 |
| logD: | 1.5167 |
| logSw: | -2.3321 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 91.543 |
| InChI Key: | BGTWWUHTEBPNJX-MRXNPFEDSA-N |