methyl 2-[1-(4-tert-butylphenyl)-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-tert-butylphenyl)-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-tert-butylphenyl)-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: | 6391-0192 |
| Compound Name: | methyl 2-[1-(4-tert-butylphenyl)-3,9-dioxo-3,9-dihydro[1]benzopyrano[2,3-c]pyrrol-2(1H)-yl]-4-methyl-1,3-thiazole-5-carboxylate |
| Molecular Weight: | 488.56 |
| Molecular Formula: | C27 H24 N2 O5 S |
| Smiles: | Cc1c(C(=O)OC)sc(n1)N1C(C2=C(C1=O)Oc1ccccc1C2=O)c1ccc(cc1)C(C)(C)C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.9249 |
| logD: | 5.9248 |
| logSw: | -5.6517 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.693 |
| InChI Key: | PMFMYDVBXPKZRU-HXUWFJFHSA-N |