2-phenoxyethyl (E)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enoate

Formula:C24H20N2O3S Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-phenoxyethyl (E)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enoate is a drug-like molecule.

MolName	2-phenoxyethyl (E)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enoate
MolecularFormula	C24H20N2O3S
Smiles	O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccs1)OCCOc1ccccc1
InChI	InChI=1S/C24H20N2O3S/c27-23(29-16-15-28-21-10-5-2-6-11-21)14-13-19-18-26(20-8-3-1-4-9-20)25-24(19)22-12-7-17-30-22/h1-14,17-18H,15-16H2
InChIK	PIVXLSNCUPFTQO-UHFFFAOYSA-N
TotalMolweight	416.5
Molweight	416.5
MonoisotopicMass	416.119463
CLogP	4.2693
CLogS	-4.811
H Acceptors	5
TotalSurfaceArea	328.21
Relative PSA	0.21706
PolarSurfaceArea	81.59
Druglikeness	-4.8029
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.6
Fragments	1
Non HAtoms	30
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	9
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	4
Symmetricatoms	4
Aromatic Nitrogens	2
StereoCon

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