4-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(4-chloro-2-fluorophenyl)piperazine-1-carboxamide
Chemical Structure Depiction of
4-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(4-chloro-2-fluorophenyl)piperazine-1-carboxamide
4-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(4-chloro-2-fluorophenyl)piperazine-1-carboxamide
Compound characteristics
| Compound ID: | Y207-3544 |
| Compound Name: | 4-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(4-chloro-2-fluorophenyl)piperazine-1-carboxamide |
| Molecular Weight: | 391.83 |
| Molecular Formula: | C19 H19 Cl F N3 O3 |
| Smiles: | C1CN(CCN1Cc1ccc2c(c1)OCO2)C(Nc1ccc(cc1F)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.6677 |
| logD: | 2.4877 |
| logSw: | -4.1361 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.666 |
| InChI Key: | CUPMUYCBZOREHH-UHFFFAOYSA-N |