1-(3-chloro-2-methylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(piperidin-4-yl)-1H-pyrazole-4-carboxamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
1-(3-chloro-2-methylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(piperidin-4-yl)-1H-pyrazole-4-carboxamide--hydrogen chloride (1/1)
1-(3-chloro-2-methylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(piperidin-4-yl)-1H-pyrazole-4-carboxamide--hydrogen chloride (1/1)
Compound characteristics
Compound ID: | E922-2200 |
Compound Name: | 1-(3-chloro-2-methylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(piperidin-4-yl)-1H-pyrazole-4-carboxamide--hydrogen chloride (1/1) |
Molecular Weight: | 489.4 |
Molecular Formula: | C24 H25 Cl N4 O3 |
Salt: | HCl |
Smiles: | Cc1c(cccc1[Cl])n1c(C2CCNCC2)c(cn1)C(Nc1ccc2c(c1)OCCO2)=O |
Stereo: | ACHIRAL |
logP: | 2.5814 |
logD: | -0.8996 |
logSw: | -3.5905 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 63.827 |
InChI Key: | MVFLGBNLQPTWAS-UHFFFAOYSA-N |