methyl 5-[4-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}pyridin-2-yl)piperazin-1-yl]-5-oxopentanoate
Chemical Structure Depiction of
methyl 5-[4-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}pyridin-2-yl)piperazin-1-yl]-5-oxopentanoate
methyl 5-[4-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}pyridin-2-yl)piperazin-1-yl]-5-oxopentanoate
Compound characteristics
| Compound ID: | V014-4447 |
| Compound Name: | methyl 5-[4-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}pyridin-2-yl)piperazin-1-yl]-5-oxopentanoate |
| Molecular Weight: | 468.51 |
| Molecular Formula: | C24 H28 N4 O6 |
| Smiles: | [H]C1([H])CN(CC([H])([H])N1C(CCCC(=O)OC)=O)c1c(cccn1)C(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8548 |
| logD: | 1.8544 |
| logSw: | -2.423 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.98 |
| InChI Key: | UAIQBSNAGUAZDQ-UHFFFAOYSA-N |