1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-[4-(1-phenyl-1H-pyrazol-4-yl)-3,6-dihydropyridin-1(2H)-yl]ethan-1-one
Chemical Structure Depiction of
1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-[4-(1-phenyl-1H-pyrazol-4-yl)-3,6-dihydropyridin-1(2H)-yl]ethan-1-one
1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-[4-(1-phenyl-1H-pyrazol-4-yl)-3,6-dihydropyridin-1(2H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | F523-0553 |
| Compound Name: | 1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-[4-(1-phenyl-1H-pyrazol-4-yl)-3,6-dihydropyridin-1(2H)-yl]ethan-1-one |
| Molecular Weight: | 485.59 |
| Molecular Formula: | C28 H31 N5 O3 |
| Smiles: | C1CN(CC=C1c1cnn(c1)c1ccccc1)CC(N1CCN(CC1)Cc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9189 |
| logD: | 2.7273 |
| logSw: | -3.1639 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.105 |
| InChI Key: | BTRAJZKTVQYQHO-UHFFFAOYSA-N |