N-{2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]pyridin-3-yl}-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-{2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]pyridin-3-yl}-2H-1,3-benzodioxole-5-carboxamide
N-{2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]pyridin-3-yl}-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V012-5188 |
| Compound Name: | N-{2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]pyridin-3-yl}-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 466.44 |
| Molecular Formula: | C24 H20 F2 N4 O4 |
| Salt: | not_available |
| Smiles: | [H]C1([H])CN(CC([H])([H])N1C(c1ccc(c(c1)F)F)=O)c1c(cccn1)NC(c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3606 |
| logD: | 3.3453 |
| logSw: | -3.5146 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.637 |
| InChI Key: | OQLRFZTXQZTZHM-UHFFFAOYSA-N |