N-benzyl-N-[[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]methyl]furan-2-carboxamide

Formula:C28H22N4O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-benzyl-N-[[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]methyl]furan-2-carboxamide is a drug-like molecule.

MolName	N-benzyl-N-[[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]methyl]furan-2-carboxamide
MolecularFormula	C28H22N4O4
Smiles	[O-][N+](c(cc1)ccc1-c(c(CN(Cc1ccccc1)C(c1ccco1)=O)c1)nn1-c1ccccc1)=O
InChI	InChI=1S/C28H22N4O4/c33-28(26-12-7-17-36-26)30(18-21-8-3-1-4-9-21)19-23-20-31(24-10-5-2-6-11-24)29-27(23)22-13-15-25(16-14-22)32(34)35/h1-17,20H,18-19H2
InChIK	JCWUXVKPBPEFDY-UHFFFAOYSA-N
TotalMolweight	478.507
Molweight	478.507
MonoisotopicMass	478.164106
CLogP	3.3872
CLogS	-5.56
H Acceptors	8
TotalSurfaceArea	369.19
Relative PSA	0.21387
PolarSurfaceArea	97.09
Druglikeness	0.65036
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.41667
Fragments	1
Non HAtoms	36
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	8
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	28
Sp3Atoms	3
Symmetricatoms	6
Amides	1
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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