N-(5-{[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3(2H)-yl)acetamide
Chemical Structure Depiction of
N-(5-{[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3(2H)-yl)acetamide
N-(5-{[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3(2H)-yl)acetamide
Compound characteristics
| Compound ID: | 7182-3742 |
| Compound Name: | N-(5-{[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3(2H)-yl)acetamide |
| Molecular Weight: | 481.51 |
| Molecular Formula: | C21 H15 N5 O5 S2 |
| Smiles: | C(CSc1nnc(NC(CN2C(=O)Oc3ccccc23)=O)s1)N1C(c2ccccc2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9658 |
| logD: | 2.9635 |
| logSw: | -3.6868 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.354 |
| InChI Key: | YMJZGOOKIOTHDI-UHFFFAOYSA-N |