4-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-[(E)-(3-oxoinden-1-ylidene)amino]benzamide

Formula:C24H17N3O3S Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-[(E)-(3-oxoinden-1-ylidene)amino]benzamide is not a drug-like molecule.

MolName	4-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-[(E)-(3-oxoinden-1-ylidene)amino]benzamide
MolecularFormula	C24H17N3O3S
Smiles	O=C(c1ccc(CSc2nc(cccc3)c3o2)cc1)N/N=C(\C1)/c(cccc2)c2C1=O
InChI	InChI=1S/C24H17N3O3S/c28-21-13-20(17-5-1-2-6-18(17)21)26-27-23(29)16-11-9-15(10-12-16)14-31-24-25-19-7-3-4-8-22(19)30-24/h1-12H,13-14H2,(H,27,29)
InChIK	GPDHLJYHZQAGNV-UHFFFAOYSA-N
TotalMolweight	427.483
Molweight	427.483
MonoisotopicMass	427.099062
CLogP	5.1968
CLogS	-7.624
H Acceptors	6
H Donors	1
TotalSurfaceArea	317.27
Relative PSA	0.28878
PolarSurfaceArea	109.86
Druglikeness	3.8486
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone
Shape Index	0.6129
Fragments	1
Non HAtoms	31
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	3
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon

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