N-[(2S)-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-[(2S)-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.

MolName	N-[(2S)-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-/m0/s1
InChIK	GTGMHYPNLHRHOH-FQEVSTJZSA-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

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

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