N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-N'-[(Z)-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]methylideneamino]oxamide

Formula:C38H29N6O4Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-N'-[(Z)-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]methylideneamino]oxamide is not a drug-like molecule.

MolName	N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-N'-[(Z)-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]methylideneamino]oxamide
MolecularFormula	C38H29N6O4Cl
Smiles	O=C(C(N/N=C\c1cn(-c2ccccc2)nc1-c(cc1)ccc1OCc1ccccc1)=O)Nc(cccc1)c1C(Nc(cc1)ccc1Cl)=O
InChI	InChI=1S/C38H29ClN6O4/c39-29-17-19-30(20-18-29)41-36(46)33-13-7-8-14-34(33)42-37(47)38(48)43-40-23-28-24-45(31-11-5-2-6-12-31)44-35(28)27-15-21-32(22-16-27)49-25-26-9-3-1-4-10-26/h1-24H,25H2,(H,41,46)(H,42,47)(H,43,48)
InChIK	OQGXNGBANCEJKA-UHFFFAOYSA-N
TotalMolweight	669.139
Molweight	669.139
MonoisotopicMass	668.193881
CLogP	6.1645
CLogS	-8.627
H Acceptors	10
H Donors	3
TotalSurfaceArea	511.59
Relative PSA	0.22059
PolarSurfaceArea	126.71
Druglikeness	4.8236
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide
Shape Index	0.55102
Fragments	1
Non HAtoms	49
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	11
Rings Closures	6
Small Rings	6
Aromatic Rings	6
Aromatic Atoms	35
Sp3Atoms	2
Symmetricatoms	8
Amides	2
Aromatic Nitrogens	2
StereoCon

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1 - N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-N'-[(Z)-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]methylideneamino]oxamide | 2 - N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-N'-[(Z)-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]methylideneamino]oxamide

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