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

MolecularFormula : C23H21N4O3F3

Smiles : O=C(Cn1c(cccc2)c2c(/C=N\NC(c2cccc(C(F)(F)F)c2)=O)c1)N1CCOCC1

InChI : InChI=1S/C23H21F3N4O3/c24-23(25,26)18-5-3-4-16(12-18)22(32)28-27-13-17-14-30(20-7-2-1-6-19(17)20)15-21(31)29-8-10-33-11-9-29/h1-7,12-14H,8-11,15H2,(H,28,32)

InChIK : XSLNNZQAVLZHBR-UHFFFAOYSA-N

TotalMolweight : 458.439

Molweight : 458.439

MonoisotopicMass : 458.156575

CLogP : 3.391

CLogS : -3.864

H Acceptors : 7

H Donors : 1

TotalSurfaceArea : 333.6

Relative PSA : 0.20824

PolarSurfaceArea : 75.93

Druglikeness : -0.94301

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

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

Shape Index : 0.54545

Fragments : 1

Non HAtoms : 33

NonCHAtoms : 10

Electronegative Atoms : 10

Rotatable Bond : 6

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 3

Aromatic Atoms : 15

Sp3Atoms : 7

Symmetricatoms : 4

Amides : 1

Aromatic Nitrogens : 1

StereoCon :