ethyl 5-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}piperidine-1-carbonyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
ethyl 5-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}piperidine-1-carbonyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
ethyl 5-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}piperidine-1-carbonyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | F602-0836 |
| Compound Name: | ethyl 5-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}piperidine-1-carbonyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 455.51 |
| Molecular Formula: | C24 H29 N3 O6 |
| Smiles: | CCOC(c1c(C)c(C(N2CCCC(C2)C(NCc2ccc3c(c2)OCO3)=O)=O)[nH]c1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2334 |
| logD: | 2.2334 |
| logSw: | -2.7795 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.084 |
| InChI Key: | KLDGRCBEYBTMBS-KRWDZBQOSA-N |