1-[3-ethoxy-4-(pentyloxy)phenyl]-2-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]-1,2-dihydro[1]benzopyrano[2,3-c]pyrrole-3,9-dione
Chemical Structure Depiction of
1-[3-ethoxy-4-(pentyloxy)phenyl]-2-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]-1,2-dihydro[1]benzopyrano[2,3-c]pyrrole-3,9-dione
1-[3-ethoxy-4-(pentyloxy)phenyl]-2-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]-1,2-dihydro[1]benzopyrano[2,3-c]pyrrole-3,9-dione
Compound characteristics
| Compound ID: | 6391-0469 |
| Compound Name: | 1-[3-ethoxy-4-(pentyloxy)phenyl]-2-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]-1,2-dihydro[1]benzopyrano[2,3-c]pyrrole-3,9-dione |
| Molecular Weight: | 533.65 |
| Molecular Formula: | C29 H31 N3 O5 S |
| Smiles: | CCCCCOc1ccc(cc1OCC)C1C2=C(C(N1c1nnc(C(C)C)s1)=O)Oc1ccccc1C2=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.0564 |
| logD: | 6.0563 |
| logSw: | -5.3642 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 74.155 |
| InChI Key: | XYVYMYSYWWERTJ-XMMPIXPASA-N |