4-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}pyridin-2-yl)-N-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide
Chemical Structure Depiction of
4-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}pyridin-2-yl)-N-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide
4-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}pyridin-2-yl)-N-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide
Compound characteristics
| Compound ID: | V011-0999 |
| Compound Name: | 4-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}pyridin-2-yl)-N-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide |
| Molecular Weight: | 505.55 |
| Molecular Formula: | C27 H28 F N5 O4 |
| Salt: | not_available |
| Smiles: | [H]C1([H])CN(CC([H])([H])N1C(NCCc1ccccc1F)=O)c1c(cccn1)C(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9257 |
| logD: | 3.9253 |
| logSw: | -4.0566 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.641 |
| InChI Key: | KTMTUXLDIIDTDY-UHFFFAOYSA-N |