N-[(Z)-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]-4-(quinolin-8-yloxymethyl)benzamide

Formula:C35H25N5O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]-4-(quinolin-8-yloxymethyl)benzamide is not a drug-like molecule.

MolName	N-[(Z)-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]-4-(quinolin-8-yloxymethyl)benzamide
MolecularFormula	C35H25N5O3
Smiles	O=C(c1ccc(COc2cccc3cccnc23)cc1)N/N=C\c1cn(-c2ccccc2)nc1-c1cc(cccc2)c2o1
InChI	InChI=1S/C35H25N5O3/c41-35(26-17-15-24(16-18-26)23-42-31-14-6-9-25-10-7-19-36-33(25)31)38-37-21-28-22-40(29-11-2-1-3-12-29)39-34(28)32-20-27-8-4-5-13-30(27)43-32/h1-22H,23H2,(H,38,41)
InChIK	BBOANGGIISNHBF-UHFFFAOYSA-N
TotalMolweight	563.616
Molweight	563.616
MonoisotopicMass	563.19574
CLogP	6.3273
CLogS	-8.132
H Acceptors	8
H Donors	1
TotalSurfaceArea	435.64
Relative PSA	0.20414
PolarSurfaceArea	94.54
Druglikeness	5.6322
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.51163
Fragments	1
Non HAtoms	43
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	8
Rings Closures	7
Small Rings	7
Aromatic Rings	7
Aromatic Atoms	36
Sp3Atoms	2
Symmetricatoms	4
Aromatic Nitrogens	3
StereoCon

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