4-chloro-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-N-[(3-methylthiophen-2-yl)methyl]-3-nitrobenzamide
Chemical Structure Depiction of
4-chloro-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-N-[(3-methylthiophen-2-yl)methyl]-3-nitrobenzamide
4-chloro-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-N-[(3-methylthiophen-2-yl)methyl]-3-nitrobenzamide
Compound characteristics
| Compound ID: | D051-0035 |
| Compound Name: | 4-chloro-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-N-[(3-methylthiophen-2-yl)methyl]-3-nitrobenzamide |
| Molecular Weight: | 428.91 |
| Molecular Formula: | C17 H17 Cl N2 O5 S2 |
| Smiles: | Cc1ccsc1CN(C1CCS(C1)(=O)=O)C(c1ccc(c(c1)[N+]([O-])=O)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5362 |
| logD: | 2.5362 |
| logSw: | -3.2311 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 77.959 |
| InChI Key: | BHYGRPGBHVPMLJ-ZDUSSCGKSA-N |