N-(4-fluorophenyl)-2-{[6-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-1,3-benzothiazol-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-fluorophenyl)-2-{[6-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-1,3-benzothiazol-2-yl]sulfanyl}acetamide
N-(4-fluorophenyl)-2-{[6-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-1,3-benzothiazol-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 3448-3249 |
| Compound Name: | N-(4-fluorophenyl)-2-{[6-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-1,3-benzothiazol-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 508.51 |
| Molecular Formula: | C23 H13 F N4 O5 S2 |
| Smiles: | C(C(Nc1ccc(cc1)F)=O)Sc1nc2ccc(cc2s1)N1C(c2ccc(cc2C1=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7874 |
| logD: | 4.7873 |
| logSw: | -4.8696 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.221 |
| InChI Key: | SIGYWXZOXPNDHU-UHFFFAOYSA-N |