[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] (E)-3-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]prop-2-enoate

Formula:C27H25N3O5 Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] (E)-3-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]prop-2-enoate is a drug-like molecule.

MolName	[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] (E)-3-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]prop-2-enoate
MolecularFormula	C27H25N3O5
Smiles	O=C(COC(/C=C/c1cn(-c2ccccc2)nc1-c1cc(cccc2)c2o1)=O)NCC1OCCC1
InChI	InChI=1S/C27H25N3O5/c31-25(28-16-22-10-6-14-33-22)18-34-26(32)13-12-20-17-30(21-8-2-1-3-9-21)29-27(20)24-15-19-7-4-5-11-23(19)35-24/h1-5,7-9,11-13,15,17,22H,6,10,14,16,18H2,(H,28,31)/t22-/m1/s1
InChIK	RQNURFAUUIUZII-JOCHJYFZSA-N
TotalMolweight	471.511
Molweight	471.511
MonoisotopicMass	471.179422
CLogP	2.7469
CLogS	-4.943
H Acceptors	8
H Donors	1
TotalSurfaceArea	366.29
Relative PSA	0.24431
PolarSurfaceArea	95.59
Druglikeness	1.657
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.51429
Fragments	1
Non HAtoms	35
NonCHAtoms	8
Electronegative Atoms	8
StereoCenters	1
Rotatable Bond	9
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	20
Sp3Atoms	8
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	2
StereoCon	racemate

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