N-[(Z)-[3-[4-(difluoromethoxy)phenyl]-1-phenylpyrazol-4-yl]methylideneamino]-3-piperidin-1-ylsulfonylbenzamide

Formula:C29H27N5O4F2S Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-[3-[4-(difluoromethoxy)phenyl]-1-phenylpyrazol-4-yl]methylideneamino]-3-piperidin-1-ylsulfonylbenzamide is not a drug-like molecule.

MolName	N-[(Z)-[3-[4-(difluoromethoxy)phenyl]-1-phenylpyrazol-4-yl]methylideneamino]-3-piperidin-1-ylsulfonylbenzamide
MolecularFormula	C29H27N5O4F2S
Smiles	O=C(c1cccc(S(N2CCCCC2)(=O)=O)c1)N/N=C\c1cn(-c2ccccc2)nc1-c(cc1)ccc1OC(F)F
InChI	InChI=1S/C29H27F2N5O4S/c30-29(31)40-25-14-12-21(13-15-25)27-23(20-36(34-27)24-9-3-1-4-10-24)19-32-33-28(37)22-8-7-11-26(18-22)41(38,39)35-16-5-2-6-17-35/h1,3-4,7-15,18-20,29H,2,5-6,16-17H2,(H,33,37)
InChIK	DVSULVNTCNMPOQ-UHFFFAOYSA-N
TotalMolweight	579.626
Molweight	579.626
MonoisotopicMass	579.175181
CLogP	4.4968
CLogS	-5.951
H Acceptors	9
H Donors	1
TotalSurfaceArea	423.85
Relative PSA	0.22645
PolarSurfaceArea	114.27
Druglikeness	-1.6175
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.5122
Fragments	1
Non HAtoms	41
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	8
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	8
Symmetricatoms	8
Amides	1
Aromatic Nitrogens	2
StereoCon

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