N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-N-[(5-methylfuran-2-yl)methyl]-2-nitrobenzamide
Chemical Structure Depiction of
N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-N-[(5-methylfuran-2-yl)methyl]-2-nitrobenzamide
N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-N-[(5-methylfuran-2-yl)methyl]-2-nitrobenzamide
Compound characteristics
| Compound ID: | D051-0147 |
| Compound Name: | N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-N-[(5-methylfuran-2-yl)methyl]-2-nitrobenzamide |
| Molecular Weight: | 378.4 |
| Molecular Formula: | C17 H18 N2 O6 S |
| Smiles: | Cc1ccc(CN(C2CCS(C2)(=O)=O)C(c2ccccc2[N+]([O-])=O)=O)o1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.3777 |
| logD: | 1.3777 |
| logSw: | -2.4168 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 84.203 |
| InChI Key: | HPOQHZFVBPZXGU-CYBMUJFWSA-N |