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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

Formula:C25H22N4O4S Mutagenic:none Tumorigenic:none Reproductive Effective:none 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 is a drug-like molecule.
MolNameN-[(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
MolecularFormulaC25H22N4O4S
SmilesO=C([C@@H](Cc1c[nH]c2c1cccc2)NC(c1cccs1)=O)N/N=C\c(cc1)cc2c1OCCO2
InChIInChI=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
InChIKGTGMHYPNLHRHOH-HXUWFJFHSA-N
TotalMolweight474.54
Molweight474.54
MonoisotopicMass474.136176
CLogP3.9713
CLogS-5.718
H Acceptors8
H Donors3
TotalSurfaceArea356.35
Relative PSA0.32232
PolarSurfaceArea133.05
Druglikeness1.6234
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.5
Fragments1
Non HAtoms34
NonCHAtoms9
Electronegative Atoms9
StereoCenters1
Rotatable Bond7
Rings Closures5
Small Rings5
Aromatic Rings4
Aromatic Atoms20
Sp3Atoms6
Amides1
Aromatic Nitrogens1
StereoConthis enantiomer

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