N-[4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)phenyl]-N'-(5-methyl-1,3,4-thiadiazol-2-yl)urea
Chemical Structure Depiction of
N-[4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)phenyl]-N'-(5-methyl-1,3,4-thiadiazol-2-yl)urea
N-[4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)phenyl]-N'-(5-methyl-1,3,4-thiadiazol-2-yl)urea
Compound characteristics
| Compound ID: | 5988-0062 |
| Compound Name: | N-[4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)phenyl]-N'-(5-methyl-1,3,4-thiadiazol-2-yl)urea |
| Molecular Weight: | 395.44 |
| Molecular Formula: | C19 H17 N5 O3 S |
| Smiles: | Cc1nnc(NC(Nc2ccc(cc2)N2C(C3C4CC(C=C4)C3C2=O)=O)=O)s1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.848 |
| logD: | 1.8403 |
| logSw: | -2.583 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.379 |
| InChI Key: | WBQHAGMAWOGWHJ-UHFFFAOYSA-N |