Menu

(7Z)-2-[(4-cyanophenyl)methylsulfanyl]-4-thiophen-2-yl-7-(thiophen-2-ylmethylidene)-5,6-dihydrocyclopenta[b]pyridine-3-carbonitrile

Formula:C26H17N3S3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (7Z)-2-[(4-cyanophenyl)methylsulfanyl]-4-thiophen-2-yl-7-(thiophen-2-ylmethylidene)-5,6-dihydrocyclopenta[b]pyridine-3-carbonitrile is not a drug-like molecule.
MolName(7Z)-2-[(4-cyanophenyl)methylsulfanyl]-4-thiophen-2-yl-7-(thiophen-2-ylmethylidene)-5,6-dihydrocyclopenta[b]pyridine-3-carbonitrile
MolecularFormulaC26H17N3S3
SmilesN#Cc1ccc(CSc2nc(/C(/CC3)=C\c4cccs4)c3c(-c3cccs3)c2C#N)cc1
InChIInChI=1S/C26H17N3S3/c27-14-17-5-7-18(8-6-17)16-32-26-22(15-28)24(23-4-2-12-31-23)21-10-9-19(25(21)29-26)13-20-3-1-11-30-20/h1-8,11-13H,9-10,16H2
InChIKYOPGEWHVGRJXTE-UHFFFAOYSA-N
TotalMolweight467.64
Molweight467.64
MonoisotopicMass467.058457
CLogP6.3036
CLogS-8.784
H Acceptors3
TotalSurfaceArea356.58
Relative PSA0.27007
PolarSurfaceArea142.25
Druglikeness-3.3779
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.5
Fragments1
Non HAtoms32
NonCHAtoms6
Electronegative Atoms6
Rotatable Bond5
Rings Closures5
Small Rings5
Aromatic Rings4
Aromatic Atoms22
Sp3Atoms4
Symmetricatoms2
Aromatic Nitrogens1
StereoCon

Request More Details | (7Z)-2-[(4-cyanophenyl)methylsulfanyl]-4-thiophen-2-yl-7-(thiophen-2-ylmethylidene)-5,6-dihydrocyclopenta[b]pyridine-3-carbonitrile


SKU Product Name Product Unit Qty Supplier Email
User Name
User Email
Additional Comments