methyl 4-{7-chloro-2-[3-(morpholin-4-yl)propyl]-3,9-dioxo-1,2,3,9-tetrahydro[1]benzopyrano[2,3-c]pyrrol-1-yl}benzoate
Chemical Structure Depiction of
methyl 4-{7-chloro-2-[3-(morpholin-4-yl)propyl]-3,9-dioxo-1,2,3,9-tetrahydro[1]benzopyrano[2,3-c]pyrrol-1-yl}benzoate
methyl 4-{7-chloro-2-[3-(morpholin-4-yl)propyl]-3,9-dioxo-1,2,3,9-tetrahydro[1]benzopyrano[2,3-c]pyrrol-1-yl}benzoate
Compound characteristics
| Compound ID: | D658-0125 |
| Compound Name: | methyl 4-{7-chloro-2-[3-(morpholin-4-yl)propyl]-3,9-dioxo-1,2,3,9-tetrahydro[1]benzopyrano[2,3-c]pyrrol-1-yl}benzoate |
| Molecular Weight: | 496.95 |
| Molecular Formula: | C26 H25 Cl N2 O6 |
| Smiles: | [H]C([H])(CCN1CCOCC1)N1C(C2=C(C1=O)Oc1ccc(cc1C2=O)[Cl])c1ccc(cc1)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4292 |
| logD: | 3.2557 |
| logSw: | -4.0584 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 69.776 |
| InChI Key: | AGVBICOGIXRKAX-JOCHJYFZSA-N |