methyl 2-[3,9-dioxo-1-(pyridin-3-yl)-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-[3,9-dioxo-1-(pyridin-3-yl)-3,9-dihydro[1]benzopyrano[2,3-c]pyrrol-2(1H)-yl]-4-methyl-1,3-thiazole-5-carboxylate
methyl 2-[3,9-dioxo-1-(pyridin-3-yl)-3,9-dihydro[1]benzopyrano[2,3-c]pyrrol-2(1H)-yl]-4-methyl-1,3-thiazole-5-carboxylate
Compound characteristics
| Compound ID: | 6391-0200 |
| Compound Name: | methyl 2-[3,9-dioxo-1-(pyridin-3-yl)-3,9-dihydro[1]benzopyrano[2,3-c]pyrrol-2(1H)-yl]-4-methyl-1,3-thiazole-5-carboxylate |
| Molecular Weight: | 433.44 |
| Molecular Formula: | C22 H15 N3 O5 S |
| Smiles: | Cc1c(C(=O)OC)sc(n1)N1C(C2=C(C1=O)Oc1ccccc1C2=O)c1cccnc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9666 |
| logD: | 2.9473 |
| logSw: | -3.3427 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 77.21 |
| InChI Key: | GTSLAONFMBGPHD-MRXNPFEDSA-N |