[2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] (E)-3-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]prop-2-enoate

Formula:C30H26N4O6BrClS Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-(2-chloro-5-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-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] (E)-3-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]prop-2-enoate
MolecularFormula	C30H26N4O6BrClS
Smiles	O=C(COC(/C=C/c1cn(-c2ccccc2)nc1-c(cc1)ccc1Br)=O)Nc(cc(cc1)S(N2CCOCC2)(=O)=O)c1Cl
InChI	InChI=1S/C30H26BrClN4O6S/c31-23-9-6-21(7-10-23)30-22(19-36(34-30)24-4-2-1-3-5-24)8-13-29(38)42-20-28(37)33-27-18-25(11-12-26(27)32)43(39,40)35-14-16-41-17-15-35/h1-13,18-19H,14-17,20H2,(H,33,37)
InChIK	KJHXMXATBPXNJY-UHFFFAOYSA-N
TotalMolweight	685.981
Molweight	685.981
MonoisotopicMass	684.044494
CLogP	3.9872
CLogS	-5.69
H Acceptors	10
H Donors	1
TotalSurfaceArea	462.19
Relative PSA	0.23261
PolarSurfaceArea	128.21
Druglikeness	2.7353
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.51163
Fragments	1
Non HAtoms	43
NonCHAtoms	13
Electronegative Atoms	13
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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1 - [2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] (E)-3-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]prop-2-enoate | 2 - [2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] (E)-3-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]prop-2-enoate

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