ethyl 4-[4-(2-{[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]amino}-2-oxoethyl)piperidine-1-carbonyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 4-[4-(2-{[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]amino}-2-oxoethyl)piperidine-1-carbonyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
ethyl 4-[4-(2-{[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]amino}-2-oxoethyl)piperidine-1-carbonyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | F861-0127 |
| Compound Name: | ethyl 4-[4-(2-{[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]amino}-2-oxoethyl)piperidine-1-carbonyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 497.59 |
| Molecular Formula: | C27 H35 N3 O6 |
| Smiles: | CCOC(c1c(C)c(C(N2CCC(CC2)CC(NC(C)c2ccc3c(c2)OCCO3)=O)=O)c(C)[nH]1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.779 |
| logD: | 2.779 |
| logSw: | -3.1542 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.808 |
| InChI Key: | QKDZJXIIKCMMPJ-KRWDZBQOSA-N |