[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] (E)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enoate

Formula:C23H18N4O4S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] (E)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enoate is a drug-like molecule.

MolName	[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] (E)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enoate
MolecularFormula	C23H18N4O4S2
Smiles	NC(c1c(NC(COC(/C=C/c2cn(-c3ccccc3)nc2-c2cccs2)=O)=O)scc1)=O
InChI	InChI=1S/C23H18N4O4S2/c24-22(30)17-10-12-33-23(17)25-19(28)14-31-20(29)9-8-15-13-27(16-5-2-1-3-6-16)26-21(15)18-7-4-11-32-18/h1-13H,14H2,(H2,24,30)(H,25,28)
InChIK	VENWPAPYDYGVOW-UHFFFAOYSA-N
TotalMolweight	478.552
Molweight	478.552
MonoisotopicMass	478.076946
CLogP	2.698
CLogS	-4.974
H Acceptors	8
H Donors	2
TotalSurfaceArea	355.87
Relative PSA	0.37769
PolarSurfaceArea	172.79
Druglikeness	5.1293
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.54545
Fragments	1
Non HAtoms	33
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	9
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	2
Symmetricatoms	2
Amides	2
Aromatic Nitrogens	2
StereoCon

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