methyl 4-{7-methyl-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-methyl-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-methyl-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: | D417-0128 |
| Compound Name: | methyl 4-{7-methyl-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: | 476.53 |
| Molecular Formula: | C27 H28 N2 O6 |
| Smiles: | Cc1ccc2c(c1)C(C1C(c3ccc(cc3)C(=O)OC)N(CCCN3CCOCC3)C(C=1O2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1548 |
| logD: | 2.9813 |
| logSw: | -3.2393 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 69.776 |
| InChI Key: | OHULCNNUAILMLI-HSZRJFAPSA-N |