methyl 2-[1-(3-butoxyphenyl)-3,9-dioxo-3,9-dihydro[1]benzopyrano[2,3-c]pyrrol-2(1H)-yl]-4-methyl-1,3-thiazole-5-carboxylate
Chemical Structure Depiction of
methyl 2-[1-(3-butoxyphenyl)-3,9-dioxo-3,9-dihydro[1]benzopyrano[2,3-c]pyrrol-2(1H)-yl]-4-methyl-1,3-thiazole-5-carboxylate
methyl 2-[1-(3-butoxyphenyl)-3,9-dioxo-3,9-dihydro[1]benzopyrano[2,3-c]pyrrol-2(1H)-yl]-4-methyl-1,3-thiazole-5-carboxylate
Compound characteristics
| Compound ID: | 6391-0223 |
| Compound Name: | methyl 2-[1-(3-butoxyphenyl)-3,9-dioxo-3,9-dihydro[1]benzopyrano[2,3-c]pyrrol-2(1H)-yl]-4-methyl-1,3-thiazole-5-carboxylate |
| Molecular Weight: | 504.56 |
| Molecular Formula: | C27 H24 N2 O6 S |
| Smiles: | CCCCOc1cccc(c1)C1C2=C(C(N1c1nc(C)c(C(=O)OC)s1)=O)Oc1ccccc1C2=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6014 |
| logD: | 5.6014 |
| logSw: | -5.4505 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 75.11 |
| InChI Key: | KUCGHAQRXKKWSA-OAQYLSRUSA-N |