(4R,8E)-2-amino-4-(4-methylsulfanylphenyl)-8-[(4-methylsulfanylphenyl)methylidene]-6-propyl-5,7-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile

Formula:C27H29N3OS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (4R,8E)-2-amino-4-(4-methylsulfanylphenyl)-8-[(4-methylsulfanylphenyl)methylidene]-6-propyl-5,7-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile is not a drug-like molecule.

MolName	(4R,8E)-2-amino-4-(4-methylsulfanylphenyl)-8-[(4-methylsulfanylphenyl)methylidene]-6-propyl-5,7-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
MolecularFormula	C27H29N3OS2
Smiles	CCCN(CC([C@H]1c(cc2)ccc2SC)=C2OC(N)=C1C#N)C/C2=C\c(cc1)ccc1SC
InChI	InChI=1S/C27H29N3OS2/c1-4-13-30-16-20(14-18-5-9-21(32-2)10-6-18)26-24(17-30)25(23(15-28)27(29)31-26)19-7-11-22(33-3)12-8-19/h5-12,14,25H,4,13,16-17,29H2,1-3H3/t25-/m1/s1
InChIK	RMDXCEMHNIWKNP-RUZDIDTESA-N
TotalMolweight	475.679
Molweight	475.679
MonoisotopicMass	475.175202
CLogP	5.5833
CLogS	-7.56
H Acceptors	4
H Donors	1
TotalSurfaceArea	366.4
Relative PSA	0.21114
PolarSurfaceArea	112.88
Druglikeness	-0.78256
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	polar activated DB
Shape Index	0.51515
Fragments	1
Non HAtoms	33
NonCHAtoms	6
Electronegative Atoms	6
StereoCenters	1
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	12
Symmetricatoms	4
Amines	1
AlkylAmines	1
BasicNitrogens	2
StereoCon	this enantiomer

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1 - (4R,8E)-2-amino-4-(4-methylsulfanylphenyl)-8-[(4-methylsulfanylphenyl)methylidene]-6-propyl-5,7-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile | 2 - (4R,8E)-2-amino-4-(4-methylsulfanylphenyl)-8-[(4-methylsulfanylphenyl)methylidene]-6-propyl-5,7-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile

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