methyl 2-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetamido]-5-(thiocyanato)benzoate
Chemical Structure Depiction of
methyl 2-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetamido]-5-(thiocyanato)benzoate
methyl 2-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetamido]-5-(thiocyanato)benzoate
Compound characteristics
| Compound ID: | 5594-2899 |
| Compound Name: | methyl 2-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetamido]-5-(thiocyanato)benzoate |
| Molecular Weight: | 395.39 |
| Molecular Formula: | C19 H13 N3 O5 S |
| Smiles: | COC(c1cc(ccc1NC(CN1C(c2ccccc2C1=O)=O)=O)SC#N)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3508 |
| logD: | 2.2996 |
| logSw: | -3.1409 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.913 |
| InChI Key: | ZWFFESQARFTAAC-UHFFFAOYSA-N |