[2-(cyclopropylamino)-2-oxoethyl] (E)-3-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]prop-2-enoate

Formula:C25H21N3O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-(cyclopropylamino)-2-oxoethyl] (E)-3-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]prop-2-enoate is a drug-like molecule.

MolName	[2-(cyclopropylamino)-2-oxoethyl] (E)-3-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]prop-2-enoate
MolecularFormula	C25H21N3O4
Smiles	O=C(COC(/C=C/c1cn(-c2ccccc2)nc1-c1cc(cccc2)c2o1)=O)NC1CC1
InChI	InChI=1S/C25H21N3O4/c29-23(26-19-11-12-19)16-31-24(30)13-10-18-15-28(20-7-2-1-3-8-20)27-25(18)22-14-17-6-4-5-9-21(17)32-22/h1-10,13-15,19H,11-12,16H2,(H,26,29)
InChIK	DJAFAQFQNVTMEX-UHFFFAOYSA-N
TotalMolweight	427.459
Molweight	427.459
MonoisotopicMass	427.153207
CLogP	2.9768
CLogS	-5.022
H Acceptors	7
H Donors	1
TotalSurfaceArea	328.77
Relative PSA	0.24178
PolarSurfaceArea	86.36
Druglikeness	3.4168
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	32
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	8
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	20
Sp3Atoms	5
Symmetricatoms	3
Amides	1
Aromatic Nitrogens	2
StereoCon

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