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

C20H17N2O3FS | Cheminformatics
Menu

(2E)-2-[(2-fluorophenyl)methylidene]-6-(morpholine-4-carbonyl)-4H-1,4-benzothiazin-3-one

Molecular Formula : C20H17N2O3FS | Mutagenic : none | Tumorigenic : none | Reproductive Effective : low |
(2E)-2-[(2-fluorophenyl)methylidene]-6-(morpholine-4-carbonyl)-4H-1,4-benzothiazin-3-one is a drug-like molecule.

MolName : (2E)-2-[(2-fluorophenyl)methylidene]-6-(morpholine-4-carbonyl)-4H-1,4-benzothiazin-3-one

MolecularFormula : C20H17N2O3FS

Smiles : O=C(c(cc1)cc(NC2=O)c1S/C2=C/c(cccc1)c1F)N1CCOCC1

InChI : InChI=1S/C20H17FN2O3S/c21-15-4-2-1-3-13(15)12-18-19(24)22-16-11-14(5-6-17(16)27-18)20(25)23-7-9-26-10-8-23/h1-6,11-12H,7-10H2,(H,22,24)

InChIK : FKOFXCVYRMRVSZ-UHFFFAOYSA-N

TotalMolweight : 384.43

Molweight : 384.43

MonoisotopicMass : 384.094391

CLogP : 2.0321

CLogS : -4.438

H Acceptors : 5

H Donors : 1

TotalSurfaceArea : 276.87

Relative PSA : 0.2477

PolarSurfaceArea : 83.94

Druglikeness : 3.2917

Mutagenic : none

Tumorigenic : none

Reproductive Effective : low

Irritant : none

Nasty Functions :

Shape Index : 0.59259

Fragments : 1

Non HAtoms : 27

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 : 2

StereoCon :

Click to Load Molecule:
1 - (2E)-2-[(2-fluorophenyl)methylidene]-6-(morpholine-4-carbonyl)-4H-1,4-benzothiazin-3-one
2 - (2E)-2-[(2-fluorophenyl)methylidene]-6-(morpholine-4-carbonyl)-4H-1,4-benzothiazin-3-one
spacefill | wire | ball&stick | Iso-vdw | Opaque | Dot Surface| Mep | Translucent | Spin | Label On| Off

Request More Details | (2E)-2-[(2-fluorophenyl)methylidene]-6-(morpholine-4-carbonyl)-4H-1,4-benzothiazin-3-one


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