(5Z)-5-[[1-(4-hydroxyphenyl)pyrrol-2-yl]methylidene]-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazolidine-2,4-dione

Formula:C21H21N3O4S Mutagenic:none Tumorigenic:none Reproductive Effective:none (5Z)-5-[[1-(4-hydroxyphenyl)pyrrol-2-yl]methylidene]-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazolidine-2,4-dione is a drug-like molecule.

MolName	(5Z)-5-[[1-(4-hydroxyphenyl)pyrrol-2-yl]methylidene]-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazolidine-2,4-dione
MolecularFormula	C21H21N3O4S
Smiles	Oc(cc1)ccc1-n1c(/C=C(/C(N2CC(N3CCCCC3)=O)=O)\SC2=O)ccc1
InChI	InChI=1S/C21H21N3O4S/c25-17-8-6-15(7-9-17)23-12-4-5-16(23)13-18-20(27)24(21(28)29-18)14-19(26)22-10-2-1-3-11-22/h4-9,12-13,25H,1-3,10-11,14H2
InChIK	QDURUFJZZSEQRC-UHFFFAOYSA-N
TotalMolweight	411.481
Molweight	411.481
MonoisotopicMass	411.125277
CLogP	2.1187
CLogS	-5.189
H Acceptors	7
H Donors	1
TotalSurfaceArea	300.18
Relative PSA	0.27877
PolarSurfaceArea	108.15
Druglikeness	3.3582
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	limit! methylene-thiazolidine-2,4-dione
Shape Index	0.58621
Fragments	1
Non HAtoms	29
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	8
Symmetricatoms	4
Amides	2
Aromatic Nitrogens	1
StereoCon

Click to Load Molecule:

1 - (5Z)-5-[[1-(4-hydroxyphenyl)pyrrol-2-yl]methylidene]-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazolidine-2,4-dione | 2 - (5Z)-5-[[1-(4-hydroxyphenyl)pyrrol-2-yl]methylidene]-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazolidine-2,4-dione

Request More Details | (5Z)-5-[[1-(4-hydroxyphenyl)pyrrol-2-yl]methylidene]-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazolidine-2,4-dione

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments