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

C18H17N2O3ClS | Cheminformatics
Menu

2-[(3-chlorophenyl)methylsulfanyl]-N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]acetamide

Molecular Formula : C18H17N2O3ClS | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
2-[(3-chlorophenyl)methylsulfanyl]-N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]acetamide is a drug-like molecule.

MolName : 2-[(3-chlorophenyl)methylsulfanyl]-N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]acetamide

MolecularFormula : C18H17N2O3ClS

Smiles : O=C(CSCc1cccc(Cl)c1)N/N=C\c(cc1)cc2c1OCCO2

InChI : InChI=1S/C18H17ClN2O3S/c19-15-3-1-2-14(8-15)11-25-12-18(22)21-20-10-13-4-5-16-17(9-13)24-7-6-23-16/h1-5,8-10H,6-7,11-12H2,(H,21,22)

InChIK : HMTDJBDKOLFMSH-UHFFFAOYSA-N

TotalMolweight : 376.863

Molweight : 376.863

MonoisotopicMass : 376.06484

CLogP : 3.976

CLogS : -5.425

H Acceptors : 5

H Donors : 1

TotalSurfaceArea : 281.44

Relative PSA : 0.26116

PolarSurfaceArea : 85.22

Druglikeness : -2.4868

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : acyl-hydrazone; imine/hydrazone of aldehyde

Shape Index : 0.68

Fragments : 1

Non HAtoms : 25

NonCHAtoms : 7

Electronegative Atoms : 7

Rotatable Bond : 6

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 7

StereoCon :

Click to Load Molecule:
1 - 2-[(3-chlorophenyl)methylsulfanyl]-N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]acetamide
2 - 2-[(3-chlorophenyl)methylsulfanyl]-N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]acetamide
spacefill | wire | ball&stick | Iso-vdw | Opaque | Dot Surface| Mep | Translucent | Spin | Label On| Off

Request More Details | 2-[(3-chlorophenyl)methylsulfanyl]-N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]acetamide


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