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4H-pyrido[1,2-a]pyrimidin-4-one, 3-[(E)-[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-thioxo-5-thiazolidinylidene]methyl]-2-[(3-ethoxypropyl)amino]-7-methyl-

ChemSpider ID: 12056436
Molecular Formula: C₂₈H₃₂N₄O₅S₂
Monoisotopic mass: 568.181396 Da
Systematic name

3-[(E)-{3-[2-(3,4-Dimethoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl]-2-[(3-ethoxypropyl)amino]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
SMILES and InChIs

SMILES:

S=C4S/C(=C/C2=C(/N=C1/C=C\C(\C)=C/N1C2=O)NCCCOCC)C(=O)N4CCc3ccc(OC)c(OC)c3 Copied

Std. InChI:

InChI=1S/C28H32N4O5S2/c1-5-37-14-6-12-29-25-20(26(33)32-17-18(2)7-10-24(32)30-25)16-23-27(34)31(28(38)39-23)13-11-19-8-9-21(35-3)22(15-19)36-4/h7-10,15-17,29H,5-6,11-14H2,1-4H3/b23-16+ Copied

Std. InChIKey:

GUZXANDQQOWPBA-XQNSMLJCSA-N Copied

Names and Identifiers

Names and Synonyms

Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts

3-[(E)-{3-[2-(3,4-Dimethoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl]-2-[(3-ethoxypropyl)amino]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one

4H-pyrido[1,2-a]pyrimidin-4-one, 3-[(E)-[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-thioxo-5-thiazolidinylidene]methyl]-2-[(3-ethoxypropyl)amino]-7-methyl-

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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:	2.262	# of Rule of 5 Violations:	1
ACD/LogD (pH 5.5):	2.26	ACD/LogD (pH 7.4):	2.26
ACD/BCF (pH 5.5):	30.85	ACD/BCF (pH 7.4):	30.86
ACD/KOC (pH 5.5):	405.17	ACD/KOC (pH 7.4):	405.22
#H bond acceptors:	9	#H bond donors:	1
#Freely Rotating Bonds:	12	Polar Surface Area:	150.09 Å²
Index of Refraction:	1.638	Molar Refractivity:	155.685 cm³
Molar Volume:	433.311 cm³	Polarizability:	61.718 10^-24cm³
Surface Tension:	48.0940017700195 dyne/cm	Density:	1.312 g/cm³
Flash Point:	331.15 °C	Enthalpy of Vaporization:	92.403 kJ/mol
Boiling Point:	623.944 °C at 760 mmHg	Vapour Pressure:	0 mmHg at 25°C

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4H-pyrido[1,2-a]pyrimidin-4-one, 3-[(E)-[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-thioxo-5-thiazolidinylidene]methyl]-2-[(3-ethoxypropyl)amino]-7-methyl-

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4H-pyrido[1,2-a]pyrimidin-4-one, 3-[(E)-[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-thioxo-5-thiazolidinylidene]methyl]-2-[(3-ethoxypropyl)amino]-7-methyl-

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