ethyl 4-{[4-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}pyridin-2-yl)piperazine-1-carbonyl]amino}butanoate
Chemical Structure Depiction of
ethyl 4-{[4-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}pyridin-2-yl)piperazine-1-carbonyl]amino}butanoate
ethyl 4-{[4-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}pyridin-2-yl)piperazine-1-carbonyl]amino}butanoate
Compound characteristics
| Compound ID: | V006-7626 |
| Compound Name: | ethyl 4-{[4-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}pyridin-2-yl)piperazine-1-carbonyl]amino}butanoate |
| Molecular Weight: | 497.55 |
| Molecular Formula: | C25 H31 N5 O6 |
| Salt: | not_available |
| Smiles: | [H]C1([H])CN(CC([H])([H])N1C(NCCCC(=O)OCC)=O)c1c(cccn1)C(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5232 |
| logD: | 2.5228 |
| logSw: | -2.9686 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 101.071 |
| InChI Key: | FGCQMUAUEUWGFA-UHFFFAOYSA-N |