2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-(methylsulfanyl)-N-(4-nitrophenyl)butanamide
Chemical Structure Depiction of
2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-(methylsulfanyl)-N-(4-nitrophenyl)butanamide
2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-(methylsulfanyl)-N-(4-nitrophenyl)butanamide
Compound characteristics
| Compound ID: | 3359-0045 |
| Compound Name: | 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-(methylsulfanyl)-N-(4-nitrophenyl)butanamide |
| Molecular Weight: | 399.42 |
| Molecular Formula: | C19 H17 N3 O5 S |
| Smiles: | CSCCC(C(Nc1ccc(cc1)[N+]([O-])=O)=O)N1C(c2ccccc2C1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3656 |
| logD: | 3.3633 |
| logSw: | -3.9042 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.161 |
| InChI Key: | AQZQNLLODGPXMJ-INIZCTEOSA-N |