1-(3-hydroxyphenyl)-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-(3-hydroxyphenyl)-2-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1,2-dihydro[1]benzopyrano[2,3-c]pyrrole-3,9-dione
1-(3-hydroxyphenyl)-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: | Y070-3966 |
| Compound Name: | 1-(3-hydroxyphenyl)-2-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1,2-dihydro[1]benzopyrano[2,3-c]pyrrole-3,9-dione |
| Molecular Weight: | 433.48 |
| Molecular Formula: | C23 H19 N3 O4 S |
| Smiles: | CC(C)Cc1nnc(N2C(C3=C(C2=O)Oc2ccccc2C3=O)c2cccc(c2)O)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2287 |
| logD: | 4.2007 |
| logSw: | -4.215 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.553 |
| InChI Key: | CRWXHBSYMFRYNB-LJQANCHMSA-N |