methyl 2-{1-[3-methoxy-4-(pentyloxy)phenyl]-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-methoxy-4-(pentyloxy)phenyl]-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-methoxy-4-(pentyloxy)phenyl]-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: | 6391-0189 |
| Compound Name: | methyl 2-{1-[3-methoxy-4-(pentyloxy)phenyl]-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: | CCCCCOc1ccc(cc1OC)C1C2=C(C(N1c1nc(C)c(C(=O)OC)s1)=O)Oc1ccccc1C2=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8382 |
| logD: | 5.8382 |
| logSw: | -5.4156 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 82.827 |
| InChI Key: | BDJSTWXBPRWWST-HSZRJFAPSA-N |