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MolName : N-[(2R)-1-[(2Z)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide

MolecularFormula : C25H22N4O4S

Smiles : O=C([C@@H](Cc1c[nH]c2c1cccc2)NC(c1cccs1)=O)N/N=C\c(cc1)cc2c1OCCO2

InChI : InChI=1S/C25H22N4O4S/c30-24(29-27-14-16-7-8-21-22(12-16)33-10-9-32-21)20(28-25(31)23-6-3-11-34-23)13-17-15-26-19-5-2-1-4-18(17)19/h1-8,11-12,14-15,20,26H,9-10,13H2,(H,28,31)(H,29,30)/t20-/m1/s1

InChIK : GTGMHYPNLHRHOH-HXUWFJFHSA-N

TotalMolweight : 474.54

Molweight : 474.54

MonoisotopicMass : 474.136176

CLogP : 3.9713

CLogS : -5.718

H Acceptors : 8

H Donors : 3

TotalSurfaceArea : 356.35

Relative PSA : 0.32232

PolarSurfaceArea : 133.05

Druglikeness : 1.6234

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

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

Shape Index : 0.5

Fragments : 1

Non HAtoms : 34

NonCHAtoms : 9

Electronegative Atoms : 9

StereoCenters : 1

Rotatable Bond : 7

Rings Closures : 5

Small Rings : 5

Aromatic Rings : 4

Aromatic Atoms : 20

Sp3Atoms : 6

Amides : 1

Aromatic Nitrogens : 1

StereoCon : this enantiomer