7-chloro-2-[3-(dimethylamino)propyl]-1-{3-ethoxy-4-[(prop-2-en-1-yl)oxy]phenyl}-1,2-dihydro[1]benzopyrano[2,3-c]pyrrole-3,9-dione
Chemical Structure Depiction of
7-chloro-2-[3-(dimethylamino)propyl]-1-{3-ethoxy-4-[(prop-2-en-1-yl)oxy]phenyl}-1,2-dihydro[1]benzopyrano[2,3-c]pyrrole-3,9-dione
7-chloro-2-[3-(dimethylamino)propyl]-1-{3-ethoxy-4-[(prop-2-en-1-yl)oxy]phenyl}-1,2-dihydro[1]benzopyrano[2,3-c]pyrrole-3,9-dione
Compound characteristics
| Compound ID: | D658-0166 |
| Compound Name: | 7-chloro-2-[3-(dimethylamino)propyl]-1-{3-ethoxy-4-[(prop-2-en-1-yl)oxy]phenyl}-1,2-dihydro[1]benzopyrano[2,3-c]pyrrole-3,9-dione |
| Molecular Weight: | 496.99 |
| Molecular Formula: | C27 H29 Cl N2 O5 |
| Smiles: | [H]C([H])(CCN(C)C)N1C(C2=C(C1=O)Oc1ccc(cc1C2=O)[Cl])c1ccc(c(c1)OCC)OCC=C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0773 |
| logD: | 2.1286 |
| logSw: | -4.7026 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 55.563 |
| InChI Key: | SQXLMDKOFLIBHB-XMMPIXPASA-N |