Chemryt - We contribute to the Chemicals, Pharmaceutical & Biotech industry using information technology

C18H12NO3ClS2 | Cheminformatics
Menu

(5E)-3-(4-chlorophenyl)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one

Molecular Formula : C18H12NO3ClS2 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
(5E)-3-(4-chlorophenyl)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.

MolName : (5E)-3-(4-chlorophenyl)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one

MolecularFormula : C18H12NO3ClS2

Smiles : O=C(/C(/SC1=S)=C\c(cc2)cc3c2OCCO3)N1c(cc1)ccc1Cl

InChI : InChI=1S/C18H12ClNO3S2/c19-12-2-4-13(5-3-12)20-17(21)16(25-18(20)24)10-11-1-6-14-15(9-11)23-8-7-22-14/h1-6,9-10H,7-8H2

InChIK : SAKNCVHTSCGFAH-UHFFFAOYSA-N

TotalMolweight : 389.882

Molweight : 389.882

MonoisotopicMass : 388.994711

CLogP : 3.4771

CLogS : -5.901

H Acceptors : 4

TotalSurfaceArea : 271.92

Relative PSA : 0.30185

PolarSurfaceArea : 96.16

Druglikeness : -4.2172

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.6

Fragments : 1

Non HAtoms : 25

NonCHAtoms : 7

Electronegative Atoms : 7

Rotatable Bond : 2

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 6

Symmetricatoms : 2

Amides : 1

StereoCon :

Click to Load Molecule:
1 - (5E)-3-(4-chlorophenyl)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
2 - (5E)-3-(4-chlorophenyl)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
spacefill | wire | ball&stick | Iso-vdw | Opaque | Dot Surface| Mep | Translucent | Spin | Label On| Off

Request More Details | (5E)-3-(4-chlorophenyl)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one


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