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

C24H17N4O4FS | Cheminformatics
Menu

(Z)-3-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-N-(4-fluorophenyl)-4-(4-nitrophenyl)-1,3-thiazol-2-imine

Molecular Formula : C24H17N4O4FS | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
(Z)-3-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-N-(4-fluorophenyl)-4-(4-nitrophenyl)-1,3-thiazol-2-imine is a drug-like molecule.

MolName : (Z)-3-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-N-(4-fluorophenyl)-4-(4-nitrophenyl)-1,3-thiazol-2-imine

MolecularFormula : C24H17N4O4FS

Smiles : [O-][N+](c(cc1)ccc1C(N1/N=C\c(cc2)cc3c2OCCO3)=CS/C1=N\c(cc1)ccc1F)=O

InChI : InChI=1S/C24H17FN4O4S/c25-18-4-6-19(7-5-18)27-24-28(21(15-34-24)17-2-8-20(9-3-17)29(30)31)26-14-16-1-10-22-23(13-16)33-12-11-32-22/h1-10,13-15H,11-12H2

InChIK : XNPDXLVMXNACAT-UHFFFAOYSA-N

TotalMolweight : 476.487

Molweight : 476.487

MonoisotopicMass : 476.095454

CLogP : 4.5221

CLogS : -6.59

H Acceptors : 8

TotalSurfaceArea : 343.55

Relative PSA : 0.27501

PolarSurfaceArea : 117.54

Druglikeness : -9.8207

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : low

Nasty Functions : aromatic nitro; imine/hydrazone of aldehyde

Shape Index : 0.47059

Fragments : 1

Non HAtoms : 34

NonCHAtoms : 10

Electronegative Atoms : 10

Rotatable Bond : 5

Rings Closures : 5

Small Rings : 5

Aromatic Rings : 3

Aromatic Atoms : 18

Sp3Atoms : 6

Symmetricatoms : 4

AcidicOxygens : 1

StereoCon :

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

Request More Details | (Z)-3-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-N-(4-fluorophenyl)-4-(4-nitrophenyl)-1,3-thiazol-2-imine


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