1-{3-methoxy-4-[(prop-2-en-1-yl)oxy]phenyl}-2-(1,3,4-thiadiazol-2-yl)-1,2-dihydro[1]benzopyrano[2,3-c]pyrrole-3,9-dione
Chemical Structure Depiction of
1-{3-methoxy-4-[(prop-2-en-1-yl)oxy]phenyl}-2-(1,3,4-thiadiazol-2-yl)-1,2-dihydro[1]benzopyrano[2,3-c]pyrrole-3,9-dione
1-{3-methoxy-4-[(prop-2-en-1-yl)oxy]phenyl}-2-(1,3,4-thiadiazol-2-yl)-1,2-dihydro[1]benzopyrano[2,3-c]pyrrole-3,9-dione
Compound characteristics
| Compound ID: | 6872-2684 |
| Compound Name: | 1-{3-methoxy-4-[(prop-2-en-1-yl)oxy]phenyl}-2-(1,3,4-thiadiazol-2-yl)-1,2-dihydro[1]benzopyrano[2,3-c]pyrrole-3,9-dione |
| Molecular Weight: | 447.47 |
| Molecular Formula: | C23 H17 N3 O5 S |
| Smiles: | COc1cc(ccc1OCC=C)C1C2=C(C(N1c1nncs1)=O)Oc1ccccc1C2=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4023 |
| logD: | 3.4022 |
| logSw: | -3.9876 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 74.606 |
| InChI Key: | QRRWHQIOKBEDIO-LJQANCHMSA-N |