methyl 4-methyl-2-{7-methyl-1-[4-(methylsulfanyl)phenyl]-3,9-dioxo-3,9-dihydro[1]benzopyrano[2,3-c]pyrrol-2(1H)-yl}-1,3-thiazole-5-carboxylate
Chemical Structure Depiction of
methyl 4-methyl-2-{7-methyl-1-[4-(methylsulfanyl)phenyl]-3,9-dioxo-3,9-dihydro[1]benzopyrano[2,3-c]pyrrol-2(1H)-yl}-1,3-thiazole-5-carboxylate
methyl 4-methyl-2-{7-methyl-1-[4-(methylsulfanyl)phenyl]-3,9-dioxo-3,9-dihydro[1]benzopyrano[2,3-c]pyrrol-2(1H)-yl}-1,3-thiazole-5-carboxylate
Compound characteristics
| Compound ID: | 6872-3631 |
| Compound Name: | methyl 4-methyl-2-{7-methyl-1-[4-(methylsulfanyl)phenyl]-3,9-dioxo-3,9-dihydro[1]benzopyrano[2,3-c]pyrrol-2(1H)-yl}-1,3-thiazole-5-carboxylate |
| Molecular Weight: | 492.57 |
| Molecular Formula: | C25 H20 N2 O5 S2 |
| Smiles: | Cc1ccc2c(c1)C(C1C(c3ccc(cc3)SC)N(C(C=1O2)=O)c1nc(C)c(C(=O)OC)s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2579 |
| logD: | 5.2579 |
| logSw: | -5.2479 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 67.693 |
| InChI Key: | QPMDFWDPDXOHLE-LJQANCHMSA-N |