7-methyl-2-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1-[4-(methylsulfanyl)phenyl]-1,2-dihydro[1]benzopyrano[2,3-c]pyrrole-3,9-dione
Chemical Structure Depiction of
7-methyl-2-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1-[4-(methylsulfanyl)phenyl]-1,2-dihydro[1]benzopyrano[2,3-c]pyrrole-3,9-dione
7-methyl-2-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1-[4-(methylsulfanyl)phenyl]-1,2-dihydro[1]benzopyrano[2,3-c]pyrrole-3,9-dione
Compound characteristics
| Compound ID: | Y070-5058 |
| Compound Name: | 7-methyl-2-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1-[4-(methylsulfanyl)phenyl]-1,2-dihydro[1]benzopyrano[2,3-c]pyrrole-3,9-dione |
| Molecular Weight: | 477.6 |
| Molecular Formula: | C25 H23 N3 O3 S2 |
| Smiles: | CC(C)Cc1nnc(N2C(C3=C(C2=O)Oc2ccc(C)cc2C3=O)c2ccc(cc2)SC)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7933 |
| logD: | 5.7932 |
| logSw: | -5.5344 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.936 |
| InChI Key: | BFXGAWZOEWEZHZ-OAQYLSRUSA-N |