1-(3-ethoxy-4-hydroxyphenyl)-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-hydroxyphenyl)-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-hydroxyphenyl)-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: | 6391-0432 |
Compound Name: | 1-(3-ethoxy-4-hydroxyphenyl)-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: | 463.51 |
Molecular Formula: | C24 H21 N3 O5 S |
Smiles: | CCOc1cc(ccc1O)C1C2=C(C(N1c1nnc(C(C)C)s1)=O)Oc1ccccc1C2=O |
Stereo: | RACEMIC MIXTURE |
logP: | 3.9674 |
logD: | 3.9661 |
logSw: | -3.727 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 83.199 |
InChI Key: | LCJJFEKWBADZON-LJQANCHMSA-N |