methyl 2-(2-{[6-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-1,3-benzothiazol-2-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
methyl 2-(2-{[6-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-1,3-benzothiazol-2-yl]sulfanyl}acetamido)benzoate
methyl 2-(2-{[6-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-1,3-benzothiazol-2-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | 3448-3247 |
| Compound Name: | methyl 2-(2-{[6-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-1,3-benzothiazol-2-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 548.55 |
| Molecular Formula: | C25 H16 N4 O7 S2 |
| Smiles: | COC(c1ccccc1NC(CSc1nc2ccc(cc2s1)N1C(c2ccc(cc2C1=O)[N+]([O-])=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4829 |
| logD: | 4.4699 |
| logSw: | -4.4413 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 114.697 |
| InChI Key: | LVQYKANPZFEFBY-UHFFFAOYSA-N |