N-(1-adamantyl)-3-[(5Z)-5-[(2-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanamide

Formula:C23H25N2O2FS2 Mutagenic:none Tumorigenic:none Reproductive Effective:low N-(1-adamantyl)-3-[(5Z)-5-[(2-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanamide is a drug-like molecule.

MolName	N-(1-adamantyl)-3-[(5Z)-5-[(2-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanamide
MolecularFormula	C23H25N2O2FS2
Smiles	O=C(CCN(C(/C(/S1)=C/c(cccc2)c2F)=O)C1=S)NC1(CC(C2)C3)CC3CC2C1
InChI	InChI=1S/C23H25FN2O2S2/c24-18-4-2-1-3-17(18)10-19-21(28)26(22(29)30-19)6-5-20(27)25-23-11-14-7-15(12-23)9-16(8-14)13-23/h1-4,10,14-16H,5-9,11-13H2,(H,25,27)
InChIK	XVILZYVACIYEDE-UHFFFAOYSA-N
TotalMolweight	444.594
Molweight	444.594
MonoisotopicMass	444.134146
CLogP	3.1112
CLogS	-5.824
H Acceptors	4
H Donors	1
TotalSurfaceArea	315.77
Relative PSA	0.27419
PolarSurfaceArea	106.8
Druglikeness	4.4019
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.53333
Fragments	1
Non HAtoms	30
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	5
Small Rings	6
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	14
Symmetricatoms	6
Amides	2
StereoCon

Click to Load Molecule:

1 - N-(1-adamantyl)-3-[(5Z)-5-[(2-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanamide | 2 - N-(1-adamantyl)-3-[(5Z)-5-[(2-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanamide

Request More Details | N-(1-adamantyl)-3-[(5Z)-5-[(2-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments