methyl 4-{2-[3-(dimethylamino)propyl]-6,7-dimethyl-3,9-dioxo-1,2,3,9-tetrahydro[1]benzopyrano[2,3-c]pyrrol-1-yl}benzoate
Chemical Structure Depiction of
methyl 4-{2-[3-(dimethylamino)propyl]-6,7-dimethyl-3,9-dioxo-1,2,3,9-tetrahydro[1]benzopyrano[2,3-c]pyrrol-1-yl}benzoate
methyl 4-{2-[3-(dimethylamino)propyl]-6,7-dimethyl-3,9-dioxo-1,2,3,9-tetrahydro[1]benzopyrano[2,3-c]pyrrol-1-yl}benzoate
Compound characteristics
| Compound ID: | D491-3322 |
| Compound Name: | methyl 4-{2-[3-(dimethylamino)propyl]-6,7-dimethyl-3,9-dioxo-1,2,3,9-tetrahydro[1]benzopyrano[2,3-c]pyrrol-1-yl}benzoate |
| Molecular Weight: | 448.52 |
| Molecular Formula: | C26 H28 N2 O5 |
| Smiles: | Cc1cc2C(C3C(c4ccc(cc4)C(=O)OC)N(CCCN(C)C)C(C=3Oc2cc1C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0168 |
| logD: | 2.068 |
| logSw: | -4.1888 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 62.022 |
| InChI Key: | MZNYHTSKOFCZFU-JOCHJYFZSA-N |