N-[(Z)-3-(benzylamino)-1-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-3-oxoprop-1-en-2-yl]-4-bromobenzamide

Formula:C32H24N4O2BrF Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-3-(benzylamino)-1-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-3-oxoprop-1-en-2-yl]-4-bromobenzamide is not a drug-like molecule.

MolName	N-[(Z)-3-(benzylamino)-1-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-3-oxoprop-1-en-2-yl]-4-bromobenzamide
MolecularFormula	C32H24N4O2BrF
Smiles	O=C(/C(/NC(c(cc1)ccc1Br)=O)=C/c1cn(-c2ccccc2)nc1-c(cc1)ccc1F)NCc1ccccc1
InChI	InChI=1S/C32H24BrFN4O2/c33-26-15-11-24(12-16-26)31(39)36-29(32(40)35-20-22-7-3-1-4-8-22)19-25-21-38(28-9-5-2-6-10-28)37-30(25)23-13-17-27(34)18-14-23/h1-19,21H,20H2,(H,35,40)(H,36,39)
InChIK	SVLPBVLAVISBLZ-UHFFFAOYSA-N
TotalMolweight	595.471
Molweight	595.471
MonoisotopicMass	594.106665
CLogP	5.8782
CLogS	-7.35
H Acceptors	6
H Donors	2
TotalSurfaceArea	422.13
Relative PSA	0.15834
PolarSurfaceArea	76.02
Druglikeness	2.53
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.4
Fragments	1
Non HAtoms	40
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	8
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	29
Sp3Atoms	1
Symmetricatoms	8
Amides	2
Aromatic Nitrogens	2
StereoCon

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1 - N-[(Z)-3-(benzylamino)-1-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-3-oxoprop-1-en-2-yl]-4-bromobenzamide | 2 - N-[(Z)-3-(benzylamino)-1-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-3-oxoprop-1-en-2-yl]-4-bromobenzamide

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