4-chloro-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-N-[(5-methylfuran-2-yl)methyl]-3-nitrobenzamide
Chemical Structure Depiction of
4-chloro-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-N-[(5-methylfuran-2-yl)methyl]-3-nitrobenzamide
4-chloro-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-N-[(5-methylfuran-2-yl)methyl]-3-nitrobenzamide
Compound characteristics
| Compound ID: | D051-0145 |
| Compound Name: | 4-chloro-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-N-[(5-methylfuran-2-yl)methyl]-3-nitrobenzamide |
| Molecular Weight: | 412.85 |
| Molecular Formula: | C17 H17 Cl N2 O6 S |
| Smiles: | Cc1ccc(CN(C2CCS(C2)(=O)=O)C(c2ccc(c(c2)[N+]([O-])=O)[Cl])=O)o1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0104 |
| logD: | 2.0104 |
| logSw: | -2.9693 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 84.203 |
| InChI Key: | ROXSGUFADWIMKC-ZDUSSCGKSA-N |