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4-[2-(4-Benzyl-1-piperazinyl)ethyl]-1-propyl-1H-indazole-3-carboxamide dihydrochloride

ChemSpider ID: 15838667
Molecular Formula: C₂₄H₃₃Cl₂N₅O
Monoisotopic mass: 477.206207 Da
Systematic name

4-[2-(4-Benzyl-1-piperazinyl)ethyl]-1-propyl-1H-indazole-3-carboxamide dihydrochloride
SMILES and InChIs

SMILES:

Cl.Cl.NC(=O)c4nn(CCC)c3cccc(CCN1CCN(CC1)Cc2ccccc2)c34 Copied

Std. InChI:

InChI=1S/C24H31N5O.2ClH/c1-2-12-29-21-10-6-9-20(22(21)23(26-29)24(25)30)11-13-27-14-16-28(17-15-27)18-19-7-4-3-5-8-19;;/h3-10H,2,11-18H2,1H3,(H2,25,30);2*1H Copied

Std. InChIKey:

SJPOYNOMTPWJIC-UHFFFAOYSA-N Copied

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Properties

Predicted - ACD/Labs
Predicted - ChemAxon

Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.

ACD/LogP:	1.969	# of Rule of 5 Violations:	0
ACD/LogD (pH 5.5):		ACD/LogD (pH 7.4):
ACD/BCF (pH 5.5):		ACD/BCF (pH 7.4):
ACD/KOC (pH 5.5):		ACD/KOC (pH 7.4):
#H bond acceptors:	6	#H bond donors:	2
#Freely Rotating Bonds:	8	Polar Surface Area:	67.39 Å²
Index of Refraction:		Molar Refractivity:	cm³
Molar Volume:	cm³	Polarizability:	10^-24cm³
Surface Tension:	dyne/cm	Density:	g/cm³
Flash Point:	347.5 °C	Enthalpy of Vaporization:	97.67 kJ/mol
Boiling Point:	650.9 °C at 760 mmHg	Vapour Pressure:	3.47E-17 mmHg at 25°C

Click to predict properties on the Chemicalize site

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