N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-N-[(3-methylthiophen-2-yl)methyl]-4-nitrobenzamide
Chemical Structure Depiction of
N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-N-[(3-methylthiophen-2-yl)methyl]-4-nitrobenzamide
N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-N-[(3-methylthiophen-2-yl)methyl]-4-nitrobenzamide
Compound characteristics
| Compound ID: | D051-0028 |
| Compound Name: | N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-N-[(3-methylthiophen-2-yl)methyl]-4-nitrobenzamide |
| Molecular Weight: | 394.47 |
| Molecular Formula: | C17 H18 N2 O5 S2 |
| Smiles: | Cc1ccsc1CN(C1CCS(C1)(=O)=O)C(c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3308 |
| logD: | 2.3308 |
| logSw: | -2.5606 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 78.26 |
| InChI Key: | YYXIHAJBWYUHTG-OAHLLOKOSA-N |