ethyl 1-(2-{[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]amino}-2-oxoethyl)-2-methyl-5-(4-methylphenyl)-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
ethyl 1-(2-{[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]amino}-2-oxoethyl)-2-methyl-5-(4-methylphenyl)-1H-pyrrole-3-carboxylate
ethyl 1-(2-{[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]amino}-2-oxoethyl)-2-methyl-5-(4-methylphenyl)-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | C721-0535 |
| Compound Name: | ethyl 1-(2-{[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]amino}-2-oxoethyl)-2-methyl-5-(4-methylphenyl)-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 448.52 |
| Molecular Formula: | C26 H28 N2 O5 |
| Smiles: | CCOC(c1cc(c2ccc(C)cc2)n(CC(NCC2COc3ccccc3O2)=O)c1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8414 |
| logD: | 4.8414 |
| logSw: | -4.5029 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.822 |
| InChI Key: | IKWDDVKJUHAMER-FQEVSTJZSA-N |