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

C18H13N3O2F2S | Cheminformatics
Menu

N-[(Z)-[5-[4-(difluoromethylsulfanyl)phenyl]furan-2-yl]methylideneamino]pyridine-4-carboxamide

Molecular Formula : C18H13N3O2F2S | Mutagenic : high | Tumorigenic : high | Reproductive Effective : high |
N-[(Z)-[5-[4-(difluoromethylsulfanyl)phenyl]furan-2-yl]methylideneamino]pyridine-4-carboxamide is not a drug-like molecule.

MolName : N-[(Z)-[5-[4-(difluoromethylsulfanyl)phenyl]furan-2-yl]methylideneamino]pyridine-4-carboxamide

MolecularFormula : C18H13N3O2F2S

Smiles : O=C(c1ccncc1)N/N=C\c1ccc(-c(cc2)ccc2SC(F)F)o1

InChI : InChI=1S/C18H13F2N3O2S/c19-18(20)26-15-4-1-12(2-5-15)16-6-3-14(25-16)11-22-23-17(24)13-7-9-21-10-8-13/h1-11,18H,(H,23,24)

InChIK : FTTLCUOPPHLDLZ-UHFFFAOYSA-N

TotalMolweight : 373.382

Molweight : 373.382

MonoisotopicMass : 373.069653

CLogP : 5.0345

CLogS : -5.855

H Acceptors : 5

H Donors : 1

TotalSurfaceArea : 277.89

Relative PSA : 0.28277

PolarSurfaceArea : 92.79

Druglikeness : 3.6453

Mutagenic : high

Tumorigenic : high

Reproductive Effective : high

Irritant : none

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

Shape Index : 0.69231

Fragments : 1

Non HAtoms : 26

NonCHAtoms : 8

Electronegative Atoms : 8

Rotatable Bond : 6

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 3

Aromatic Atoms : 17

Sp3Atoms : 2

Symmetricatoms : 5

Aromatic Nitrogens : 1

StereoCon :

Click to Load Molecule:
1 - N-[(Z)-[5-[4-(difluoromethylsulfanyl)phenyl]furan-2-yl]methylideneamino]pyridine-4-carboxamide
spacefill | wire | ball&stick | Iso-vdw | Opaque | Dot Surface| Mep | Translucent | Spin | Label On| Off

Request More Details | N-[(Z)-[5-[4-(difluoromethylsulfanyl)phenyl]furan-2-yl]methylideneamino]pyridine-4-carboxamide


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