ethyl 2-[3,9-dioxo-1-(thiophen-2-yl)-3,9-dihydro[1]benzopyrano[2,3-c]pyrrol-2(1H)-yl]-4-methyl-1,3-thiazole-5-carboxylate
Chemical Structure Depiction of
ethyl 2-[3,9-dioxo-1-(thiophen-2-yl)-3,9-dihydro[1]benzopyrano[2,3-c]pyrrol-2(1H)-yl]-4-methyl-1,3-thiazole-5-carboxylate
ethyl 2-[3,9-dioxo-1-(thiophen-2-yl)-3,9-dihydro[1]benzopyrano[2,3-c]pyrrol-2(1H)-yl]-4-methyl-1,3-thiazole-5-carboxylate
Compound characteristics
| Compound ID: | 6391-0246 |
| Compound Name: | ethyl 2-[3,9-dioxo-1-(thiophen-2-yl)-3,9-dihydro[1]benzopyrano[2,3-c]pyrrol-2(1H)-yl]-4-methyl-1,3-thiazole-5-carboxylate |
| Molecular Weight: | 452.51 |
| Molecular Formula: | C22 H16 N2 O5 S2 |
| Smiles: | CCOC(c1c(C)nc(N2C(C3=C(C2=O)Oc2ccccc2C3=O)c2cccs2)s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1743 |
| logD: | 4.1743 |
| logSw: | -4.4134 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.291 |
| InChI Key: | NBEQPTZJIRKPPX-INIZCTEOSA-N |