[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] (E)-3-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]prop-2-enoate

Formula:C30H27N4O6BrS Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] (E)-3-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]prop-2-enoate is not a drug-like molecule.

MolName	[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] (E)-3-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]prop-2-enoate
MolecularFormula	C30H27N4O6BrS
Smiles	O=C(COC(/C=C/c1cn(-c2ccccc2)nc1-c(cc1)ccc1Br)=O)Nc1cc(S(N2CCOCC2)(=O)=O)ccc1
InChI	InChI=1S/C30H27BrN4O6S/c31-24-12-9-22(10-13-24)30-23(20-35(33-30)26-6-2-1-3-7-26)11-14-29(37)41-21-28(36)32-25-5-4-8-27(19-25)42(38,39)34-15-17-40-18-16-34/h1-14,19-20H,15-18,21H2,(H,32,36)
InChIK	GBVZIQCVRYGHIQ-UHFFFAOYSA-N
TotalMolweight	651.536
Molweight	651.536
MonoisotopicMass	650.083467
CLogP	3.3812
CLogS	-4.954
H Acceptors	10
H Donors	1
TotalSurfaceArea	446.77
Relative PSA	0.24064
PolarSurfaceArea	128.21
Druglikeness	-2.4565
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.52381
Fragments	1
Non HAtoms	42
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	9
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	8
Symmetricatoms	7
Amides	2
Aromatic Nitrogens	2
StereoCon

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