methyl 4-{2-[(2-chlorophenyl)methyl]-3,9-dioxo-1,2,3,9-tetrahydro[1]benzopyrano[2,3-c]pyrrol-1-yl}benzoate
Chemical Structure Depiction of
methyl 4-{2-[(2-chlorophenyl)methyl]-3,9-dioxo-1,2,3,9-tetrahydro[1]benzopyrano[2,3-c]pyrrol-1-yl}benzoate
methyl 4-{2-[(2-chlorophenyl)methyl]-3,9-dioxo-1,2,3,9-tetrahydro[1]benzopyrano[2,3-c]pyrrol-1-yl}benzoate
Compound characteristics
| Compound ID: | IB08-4543 |
| Compound Name: | methyl 4-{2-[(2-chlorophenyl)methyl]-3,9-dioxo-1,2,3,9-tetrahydro[1]benzopyrano[2,3-c]pyrrol-1-yl}benzoate |
| Molecular Weight: | 459.89 |
| Molecular Formula: | C26 H18 Cl N O5 |
| Smiles: | COC(c1ccc(cc1)C1C2=C(C(N1Cc1ccccc1[Cl])=O)Oc1ccccc1C2=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.18 |
| logD: | 5.18 |
| logSw: | -6.05 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 106.37 |
| InChI Key: | JDROOXYXIKQESJ-JOCHJYFZSA-N |