2-[3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propyl]-5-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-4-carboxylic acid
Chemical Structure Depiction of
2-[3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propyl]-5-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-4-carboxylic acid
2-[3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propyl]-5-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-4-carboxylic acid
Compound characteristics
| Compound ID: | S364-0068 |
| Compound Name: | 2-[3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propyl]-5-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-4-carboxylic acid |
| Molecular Weight: | 377.37 |
| Molecular Formula: | C16 H15 N3 O6 S |
| Smiles: | CC1C(=CN(CCCN2C(c3ccccc3C2=O)=O)S(N=1)(=O)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.4431 |
| logD: | -6.4108 |
| logSw: | -2.1658 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.388 |
| InChI Key: | WIPJTNSWAQSOAC-UHFFFAOYSA-N |