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MolName : (E)-2-(1H-benzimidazol-2-yl)-N-[(4-chlorophenyl)methyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide

MolecularFormula : C25H20N3O3Cl

Smiles : O=C(/C(/c1nc(cccc2)c2[nH]1)=C/c(cc1)cc2c1OCCO2)NCc(cc1)ccc1Cl

InChI : InChI=1S/C25H20ClN3O3/c26-18-8-5-16(6-9-18)15-27-25(30)19(24-28-20-3-1-2-4-21(20)29-24)13-17-7-10-22-23(14-17)32-12-11-31-22/h1-10,13-14H,11-12,15H2,(H,27,30)(H,28,29)

InChIK : LUNQJPOVLRWOMG-UHFFFAOYSA-N

TotalMolweight : 445.905

Molweight : 445.905

MonoisotopicMass : 445.119319

CLogP : 4.2564

CLogS : -4.684

H Acceptors : 6

H Donors : 2

TotalSurfaceArea : 332.83

Relative PSA : 0.2087

PolarSurfaceArea : 76.24

Druglikeness : -3.7176

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.5

Fragments : 1

Non HAtoms : 32

NonCHAtoms : 7

Electronegative Atoms : 7

Rotatable Bond : 5

Rings Closures : 5

Small Rings : 5

Aromatic Rings : 4

Aromatic Atoms : 21

Sp3Atoms : 5

Symmetricatoms : 2

Amides : 1

Aromatic Nitrogens : 2

BasicNitrogens : 1

StereoCon :