methyl 4-[5,7-dichloro-2-(5-methyl-1,2-oxazol-3-yl)-3,9-dioxo-1,2,3,9-tetrahydro[1]benzopyrano[2,3-c]pyrrol-1-yl]benzoate
Chemical Structure Depiction of
methyl 4-[5,7-dichloro-2-(5-methyl-1,2-oxazol-3-yl)-3,9-dioxo-1,2,3,9-tetrahydro[1]benzopyrano[2,3-c]pyrrol-1-yl]benzoate
methyl 4-[5,7-dichloro-2-(5-methyl-1,2-oxazol-3-yl)-3,9-dioxo-1,2,3,9-tetrahydro[1]benzopyrano[2,3-c]pyrrol-1-yl]benzoate
Compound characteristics
| Compound ID: | F090-0757 |
| Compound Name: | methyl 4-[5,7-dichloro-2-(5-methyl-1,2-oxazol-3-yl)-3,9-dioxo-1,2,3,9-tetrahydro[1]benzopyrano[2,3-c]pyrrol-1-yl]benzoate |
| Molecular Weight: | 485.28 |
| Molecular Formula: | C23 H14 Cl2 N2 O6 |
| Smiles: | Cc1cc(no1)N1C(C2=C(C1=O)Oc1c(cc(cc1[Cl])[Cl])C2=O)c1ccc(cc1)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2863 |
| logD: | 5.2863 |
| logSw: | -5.8697 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 77.671 |
| InChI Key: | XNOPIXLLZKDETE-SFHVURJKSA-N |