methyl 2-[1-(4-butoxy-3-ethoxyphenyl)-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-(4-butoxy-3-ethoxyphenyl)-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-(4-butoxy-3-ethoxyphenyl)-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: | 6391-0232 |
Compound Name: | methyl 2-[1-(4-butoxy-3-ethoxyphenyl)-3,9-dioxo-3,9-dihydro[1]benzopyrano[2,3-c]pyrrol-2(1H)-yl]-4-methyl-1,3-thiazole-5-carboxylate |
Molecular Weight: | 548.61 |
Molecular Formula: | C29 H28 N2 O7 S |
Smiles: | CCCCOc1ccc(cc1OCC)C1C2=C(C(N1c1nc(C)c(C(=O)OC)s1)=O)Oc1ccccc1C2=O |
Stereo: | RACEMIC MIXTURE |
logP: | 5.4337 |
logD: | 5.4337 |
logSw: | -5.413 |
Hydrogen bond acceptors count: | 11 |
Polar surface area: | 82.407 |
InChI Key: | IQMJKBWPFCHBOO-HSZRJFAPSA-N |