4-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)-N-(2-bromophenyl)piperazine-1-carboxamide

Formula:C25H28N5OBr Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)-N-(2-bromophenyl)piperazine-1-carboxamide is not a drug-like molecule.

MolName	4-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)-N-(2-bromophenyl)piperazine-1-carboxamide
MolecularFormula	C25H28N5OBr
Smiles	CCc1c(Cc2ccccc2)c(N(CC2)CCN2C(Nc(cccc2)c2Br)=O)nc(C)n1
InChI	InChI=1S/C25H28BrN5O/c1-3-22-20(17-19-9-5-4-6-10-19)24(28-18(2)27-22)30-13-15-31(16-14-30)25(32)29-23-12-8-7-11-21(23)26/h4-12H,3,13-17H2,1-2H3,(H,29,32)
InChIK	LEQYGBMZICKUAS-UHFFFAOYSA-N
TotalMolweight	494.435
Molweight	494.435
MonoisotopicMass	493.147721
CLogP	5.3086
CLogS	-5.41
H Acceptors	6
H Donors	1
TotalSurfaceArea	352.32
Relative PSA	0.15196
PolarSurfaceArea	61.36
Druglikeness	3.9467
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.53125
Fragments	1
Non HAtoms	32
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	8
Symmetricatoms	4
Amides	2
Aromatic Nitrogens	2
StereoCon

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