4-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-[(Z)-(3-oxocyclohexylidene)amino]benzamide

Formula:C21H19N3O3S Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-[(Z)-(3-oxocyclohexylidene)amino]benzamide is a drug-like molecule.

MolName	4-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-[(Z)-(3-oxocyclohexylidene)amino]benzamide
MolecularFormula	C21H19N3O3S
Smiles	O=C(c1ccc(CSc2nc(cccc3)c3o2)cc1)N/N=C(/CCC1)\CC1=O
InChI	InChI=1S/C21H19N3O3S/c25-17-5-3-4-16(12-17)23-24-20(26)15-10-8-14(9-11-15)13-28-21-22-18-6-1-2-7-19(18)27-21/h1-2,6-11H,3-5,12-13H2,(H,24,26)
InChIK	YGNIALVTCWEXID-UHFFFAOYSA-N
TotalMolweight	393.466
Molweight	393.466
MonoisotopicMass	393.114712
CLogP	4.4592
CLogS	-6.278
H Acceptors	6
H Donors	1
TotalSurfaceArea	298.79
Relative PSA	0.30664
PolarSurfaceArea	109.86
Druglikeness	-0.6736
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone
Shape Index	0.64286
Fragments	1
Non HAtoms	28
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	6
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon

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