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

Formula:C24H22N3O4Br Mutagenic:none Tumorigenic:none Reproductive Effective:none (2-morpholin-4-yl-2-oxoethyl) (E)-3-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]prop-2-enoate is a drug-like molecule.

MolName	(2-morpholin-4-yl-2-oxoethyl) (E)-3-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]prop-2-enoate
MolecularFormula	C24H22N3O4Br
Smiles	O=C(COC(/C=C/c1cn(-c2ccccc2)nc1-c(cc1)ccc1Br)=O)N1CCOCC1
InChI	InChI=1S/C24H22BrN3O4/c25-20-9-6-18(7-10-20)24-19(16-28(26-24)21-4-2-1-3-5-21)8-11-23(30)32-17-22(29)27-12-14-31-15-13-27/h1-11,16H,12-15,17H2
InChIK	FMZVIIAUAZXGBV-UHFFFAOYSA-N
TotalMolweight	496.36
Molweight	496.36
MonoisotopicMass	495.079368
CLogP	2.8652
CLogS	-3.946
H Acceptors	7
TotalSurfaceArea	346.97
Relative PSA	0.19445
PolarSurfaceArea	73.66
Druglikeness	1.7384
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.53125
Fragments	1
Non HAtoms	32
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	7
Symmetricatoms	6
Amides	1
Aromatic Nitrogens	2
StereoCon

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