1-(4-hydroxy-3-methoxyphenyl)-6,7-dimethyl-2-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1,2-dihydro[1]benzopyrano[2,3-c]pyrrole-3,9-dione
Chemical Structure Depiction of
1-(4-hydroxy-3-methoxyphenyl)-6,7-dimethyl-2-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1,2-dihydro[1]benzopyrano[2,3-c]pyrrole-3,9-dione
1-(4-hydroxy-3-methoxyphenyl)-6,7-dimethyl-2-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1,2-dihydro[1]benzopyrano[2,3-c]pyrrole-3,9-dione
Compound characteristics
| Compound ID: | Y070-4754 |
| Compound Name: | 1-(4-hydroxy-3-methoxyphenyl)-6,7-dimethyl-2-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1,2-dihydro[1]benzopyrano[2,3-c]pyrrole-3,9-dione |
| Molecular Weight: | 491.57 |
| Molecular Formula: | C26 H25 N3 O5 S |
| Smiles: | CC(C)Cc1nnc(N2C(C3=C(C2=O)Oc2cc(C)c(C)cc2C3=O)c2ccc(c(c2)OC)O)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0351 |
| logD: | 5.0326 |
| logSw: | -4.4396 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.114 |
| InChI Key: | BKTZUFBIAWIRAH-JOCHJYFZSA-N |