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

MolName : N-[(Z)-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide

MolecularFormula : C24H23N4O3F3

Smiles : O=C(Cc1cccc(C(F)(F)F)c1)N/N=C\c1cn(CC(N2CCOCC2)=O)c2c1cccc2

InChI : InChI=1S/C24H23F3N4O3/c25-24(26,27)19-5-3-4-17(12-19)13-22(32)29-28-14-18-15-31(21-7-2-1-6-20(18)21)16-23(33)30-8-10-34-11-9-30/h1-7,12,14-15H,8-11,13,16H2,(H,29,32)

InChIK : XKYCAXLUODMMQJ-UHFFFAOYSA-N

TotalMolweight : 472.466

Molweight : 472.466

MonoisotopicMass : 472.172225

CLogP : 3.3891

CLogS : -3.829

H Acceptors : 7

H Donors : 1

TotalSurfaceArea : 347.36

Relative PSA : 0.19999

PolarSurfaceArea : 75.93

Druglikeness : -0.93878

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

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

Shape Index : 0.55882

Fragments : 1

Non HAtoms : 34

NonCHAtoms : 10

Electronegative Atoms : 10

Rotatable Bond : 7

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 3

Aromatic Atoms : 15

Sp3Atoms : 8

Symmetricatoms : 4

Amides : 1

Aromatic Nitrogens : 1

StereoCon :