3-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(4-nitrophenyl)propanamide

Formula:C20H15N3O6S2 Mutagenic:none Tumorigenic:none Reproductive Effective:high 3-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(4-nitrophenyl)propanamide is a drug-like molecule.

MolName	3-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(4-nitrophenyl)propanamide
MolecularFormula	C20H15N3O6S2
Smiles	[O-][N+](c(cc1)ccc1NC(CCN(C(/C(/S1)=C/c(cc2)cc3c2OCO3)=O)C1=S)=O)=O
InChI	InChI=1S/C20H15N3O6S2/c24-18(21-13-2-4-14(5-3-13)23(26)27)7-8-22-19(25)17(31-20(22)30)10-12-1-6-15-16(9-12)29-11-28-15/h1-6,9-10H,7-8,11H2,(H,21,24)
InChIK	JPNYMBYJMXYHII-UHFFFAOYSA-N
TotalMolweight	457.486
Molweight	457.486
MonoisotopicMass	457.040227
CLogP	1.8337
CLogS	-5.853
H Acceptors	9
H Donors	1
TotalSurfaceArea	323.14
Relative PSA	0.42396
PolarSurfaceArea	171.08
Druglikeness	-0.15611
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.6129
Fragments	1
Non HAtoms	31
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	8
Symmetricatoms	2
Amides	2
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - 3-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(4-nitrophenyl)propanamide | 2 - 3-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(4-nitrophenyl)propanamide

Request More Details | 3-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(4-nitrophenyl)propanamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments