N-[2-(azepan-1-yl)ethyl]-3-[3-(2H-1,3-benzodioxol-5-yl)-1-phenyl-1H-pyrazol-4-yl]propanamide
Chemical Structure Depiction of
N-[2-(azepan-1-yl)ethyl]-3-[3-(2H-1,3-benzodioxol-5-yl)-1-phenyl-1H-pyrazol-4-yl]propanamide
N-[2-(azepan-1-yl)ethyl]-3-[3-(2H-1,3-benzodioxol-5-yl)-1-phenyl-1H-pyrazol-4-yl]propanamide
Compound characteristics
Compound ID: | F368-0496 |
Compound Name: | N-[2-(azepan-1-yl)ethyl]-3-[3-(2H-1,3-benzodioxol-5-yl)-1-phenyl-1H-pyrazol-4-yl]propanamide |
Molecular Weight: | 460.58 |
Molecular Formula: | C27 H32 N4 O3 |
Smiles: | C1CCCN(CC1)CCNC(CCc1cn(c2ccccc2)nc1c1ccc2c(c1)OCO2)=O |
Stereo: | ACHIRAL |
logP: | 4.0966 |
logD: | 2.3978 |
logSw: | -4.0597 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 60.341 |
InChI Key: | AVDJWSFIKIZLLT-UHFFFAOYSA-N |