methyl 4-methyl-2-[1-(3-nitrophenyl)-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-[1-(3-nitrophenyl)-3,9-dioxo-3,9-dihydro[1]benzopyrano[2,3-c]pyrrol-2(1H)-yl]-1,3-thiazole-5-carboxylate
methyl 4-methyl-2-[1-(3-nitrophenyl)-3,9-dioxo-3,9-dihydro[1]benzopyrano[2,3-c]pyrrol-2(1H)-yl]-1,3-thiazole-5-carboxylate
Compound characteristics
| Compound ID: | 6391-0181 |
| Compound Name: | methyl 4-methyl-2-[1-(3-nitrophenyl)-3,9-dioxo-3,9-dihydro[1]benzopyrano[2,3-c]pyrrol-2(1H)-yl]-1,3-thiazole-5-carboxylate |
| Molecular Weight: | 477.45 |
| Molecular Formula: | C23 H15 N3 O7 S |
| Smiles: | Cc1c(C(=O)OC)sc(n1)N1C(C2=C(C1=O)Oc1ccccc1C2=O)c1cccc(c1)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0028 |
| logD: | 4.0028 |
| logSw: | -4.4502 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 101.074 |
| InChI Key: | ZNROSZIGFFOGJD-QGZVFWFLSA-N |