4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]benzamide

Formula:C29H21N5OS3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]benzamide is not a drug-like molecule.

MolName	4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]benzamide
MolecularFormula	C29H21N5OS3
Smiles	O=C(c1ccc(CSc2nc(cccc3)c3s2)cc1)N/N=C\c1cn(-c2ccccc2)nc1-c1cccs1
InChI	InChI=1S/C29H21N5OS3/c35-28(21-14-12-20(13-15-21)19-37-29-31-24-9-4-5-10-25(24)38-29)32-30-17-22-18-34(23-7-2-1-3-8-23)33-27(22)26-11-6-16-36-26/h1-18H,19H2,(H,32,35)
InChIK	BPUTWWDFMADSSV-UHFFFAOYSA-N
TotalMolweight	551.718
Molweight	551.718
MonoisotopicMass	551.09082
CLogP	6.6074
CLogS	-8.42
H Acceptors	6
H Donors	1
TotalSurfaceArea	410.72
Relative PSA	0.29955
PolarSurfaceArea	153.95
Druglikeness	7.2732
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.57895
Fragments	1
Non HAtoms	38
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	8
Rings Closures	6
Small Rings	6
Aromatic Rings	6
Aromatic Atoms	31
Sp3Atoms	2
Symmetricatoms	4
Aromatic Nitrogens	3
StereoCon

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